SCHEMBL28111965

SCHEMBL28111965

FC(F)c1cc2cccnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
RIPK1 Q13546 13/20 0.46
GCK P35557 1/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
AXL P30530 1/20 0.41
NUDT1 P36639 1/20 0.41
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL2981817 0.81 DAO (0.49) DAORIPK1GCKCCNB2CDK1
SCHEMBL24076503 0.81 DAO (0.53) DAORIPK1GCKCCNB2CDK1
SCHEMBL29460593 0.79 DAO (0.50) DAORIPK1GCKCCNB2CDK1
SCHEMBL8135643 0.79 RIPK1 (0.47) DAORIPK1GCKCCNB2CDK1
SCHEMBL8134947 0.79 DAO (0.46) DAORIPK1GCKCCNB2CDK1
SCHEMBL23134497 0.79 DAO (0.50) DAORIPK1GCKCCNB2CDK1
SCHEMBL31660957 0.76 RIPK1 (0.49) DAORIPK1GCKCCNB2CDK1
SCHEMBL29588280 0.75 DAO (0.46) DAORIPK1GCKCCNB2CDK1
SCHEMBL19121174 0.75 GCK (0.43) DAORIPK1GCKCCNB2CDK1
SCHEMBL27984199 0.75 DAO (0.53) DAORIPK1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106470993-B The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2019-08-27 CN disclosed
CN-106470993-A The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2017-03-01 CN disclosed