SCHEMBL5259012

SCHEMBL5259012

C[C@H](Oc1cc(NC(=O)c2cccnc2Cl)cc(C(F)(F)F)c1)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
BRAF P15056 1/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPA1 O75762 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL6899856 1.00 KDR (0.41) KDRBRAFTMPRSS4ALDH1A1RXFP1
SCHEMBL5261553 1.00 KDR (0.41) KDRBRAFTMPRSS4ALDH1A1RXFP1
SCHEMBL6105138 0.91 KDR (0.41) KDRBRAFTMPRSS4RXFP1MEN1
SCHEMBL5264220 0.88 MAPT (0.38) KDRBRAFTMPRSS4ALDH1A1RXFP1
SCHEMBL5258178 0.88 MAPT (0.38) KDRBRAFTMPRSS4ALDH1A1RXFP1
SCHEMBL6225912 0.84 KDR (0.63) KDRBRAFALDH1A1RXFP1MEN1
SCHEMBL6013581 0.84 KDR (0.63) KDRBRAFALDH1A1RXFP1MEN1
SCHEMBL6103553 0.84 KDR (0.55) KDRBRAFALDH1A1RXFP1MEN1
SCHEMBL4765304 0.83 TUBB4A (0.43) KDRBRAFALDH1A1RXFP1MEN1
SCHEMBL3894314 0.82 KDR (0.54) KDRBRAFALDH1A1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE 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-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed