SCHEMBL5178391

SCHEMBL5178391

O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TSHR P16473 1/20 1.00
RXFP1 Q9HBX9 1/20 0.80
CSF1R P07333 5/20 0.77
MAPT P10636 2/20 0.72
BRAF P15056 2/20 0.71
KCNK3 O14649 2/20 0.68
KIT P10721 1/20 0.68
KDR P35968 1/20 0.68
MAPK14 Q16539 1/20 0.68
EPHX2 P34913 1/20 0.67
LMNA P02545 3/20 0.66
TP53 P04637 1/20 0.66
TRPA1 O75762 1/20 0.65
HIF1A Q16665 1/20 0.64
P2RX1 P51575 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15529261 0.90 RXFP1 (1.00) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL24448272 0.88 KMT2A (0.77) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL13540540 0.88 MEN1 (0.78) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL2565097 0.86 KMT2A (0.76) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL3486022 0.85 RXFP1 (0.79) MEN1KMT2ATSHRRXFP1MAPT
SCHEMBL5665029 0.85 EPHX2 (0.76) MEN1KMT2ATSHRCSF1RBRAF
SCHEMBL6054935 0.84 MEN1 (0.73) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL4286068 0.84 MAPT (0.94) MEN1KMT2ATSHRRXFP1MAPT
SCHEMBL17992413 0.84 BRAF (1.00) MEN1KMT2ATSHRRXFP1CSF1R
SCHEMBL14214468 0.84 KMT2A (0.72) MEN1KMT2ATSHRRXFP1CSF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 EP claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 WO claimed
EP-4504174-A2 NICOTINAMIDE- AND BENZAMIDE-BASED COMPOUNDS, CONJUGATES, AND COMPOSITIONS AS INHIBITORS OF TRANSLATIONAL- AND TRANSCRIPTIONAL-RELATED KINASES Purdue Research Foundation (US) 2025-02-12 EP disclosed
WO-2023196930-A2 NICOTINAMIDE- AND BENZAMIDE-BASED COMPOUNDS, CONJUGATES, AND COMPOSITIONS AS INHIBITORS OF TRANSLATIONAL- AND TRANSCRIPTIONAL-RELATED KINASES PURDUE RESEARCH FOUNDATION (US) 2023-10-12 WO disclosed
EP-1807416-A1 NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-18 EP disclosed
EP-1682181-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT Novartis AG (CH) 2006-07-26 EP disclosed
EP-1667721-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS Novartis AG (CH) 2006-06-14 EP disclosed
WO-2006048249-A1 NICOTINAMIDE PYRIDINUREAS AS VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) RECEPTOR KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2005027972-A2 COMBINATION OF A VEGF RECEPTOR INHIBITOR WITH A CHEMOTHERAPEUTIC AGENT NOVARTIS AG (CH) 2005-03-31 WO disclosed
WO-2005027973-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS NOVARTIS AG (CH) 2005-03-31 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 WO disclosed