SCHEMBL6957582

SCHEMBL6957582

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4cccc(Cl)c4)ccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRIN2C Q14957 1/20 0.36
TTR P02766 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6959003 0.93 TP53 (0.41) TTRTP53MAPTNPSR1
SCHEMBL6962207 0.93 SMN1; SMN2 (0.38) CCNE1CDK2TP53KDM4ENPSR1
SCHEMBL6961412 0.93 SMN1; SMN2 (0.37) CCNE1CDK2TTRTP53MAPT
SCHEMBL6955562 0.91 SRD5A1 (0.37) GRIN2C
SCHEMBL6958506 0.89 SMN1; SMN2 (0.39) CCNE1CDK2TP53MAPTKDM4E
SCHEMBL6958156 0.89 CDC7 (0.35) TTRTP53MAPTKDM4EALDH1A1
SCHEMBL6957084 0.89 KMT2A (0.33) CCNE1CDK2TP53MAPTNPSR1
SCHEMBL6962863 0.88 KMT2A (0.38) CCNE1CDK2MAPTKDM4ENPSR1
SCHEMBL6957761 0.88 TP53 (0.40) CCNE1CDK2TTRTP53MAPT
SCHEMBL6956125 0.88 KMT2A (0.35) CCNE1CDK2TP53MAPTNPSR1

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 3 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 claimed
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