SCHEMBL6961325

SCHEMBL6961325

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)CNC(=O)OC(C)(C)C)cc3C2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.34
KMT2A Q03164 1/20 0.32
JAK2 O60674 5/20 0.32
JAK3 P52333 4/20 0.32
JAK1 P23458 3/20 0.32
PTK2 Q05397 3/20 0.32
TYK2 P29597 1/20 0.32
MAPT P10636 2/20 0.32
EGFR P00533 2/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
ITK Q08881 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL6962548 0.94 GHSR (0.34) IGF1RKMT2AJAK2JAK3JAK1
SCHEMBL6963615 0.88 KMT2A (0.35) KMT2AMAPTEGFRITKKDM4E
SCHEMBL6962849 0.86 MAPT (0.35) IGF1RKMT2AJAK2JAK3PTK2
SCHEMBL6962845 0.86 MAPT (0.35) IGF1RKMT2AJAK2JAK3PTK2
SCHEMBL6966508 0.86 KMT2A (0.37) KMT2AMAPTEGFRMARK3FYN
SCHEMBL6955926 0.85 P2RX3 (0.34) KMT2AMAPTEGFRKDM4EALDH1A1
SCHEMBL6963612 0.85 KMT2A (0.35) KMT2AMAPTEGFRMARK3FYN
SCHEMBL6961693 0.85 SCN9A (0.38) IGF1RMAPTKDM4EALDH1A1GLA
SCHEMBL6961689 0.85 SCN9A (0.38) IGF1RMAPTKDM4EALDH1A1GLA
SCHEMBL6960905 0.85 KMT2A (0.35) KMT2AEGFRMARK3FYNPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed