SCHEMBL22310407

SCHEMBL22310407

OCc1cccc(-c2ncc(OCC3CCCCC3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ XDH P47989 1/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ MET P08581 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ PARP15 Q460N3 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ EP300 Q09472 2/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL1296276 0.86 MET (0.57) METNQO2EP300
SCHEMBL4569158 0.81 TLR4 (0.50) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL31220919 0.81 TLR4 (0.50) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL22309826 0.80 MET (0.40) METNQO2S1PR1EP300ABL1
SCHEMBL16690660 0.79 FFAR1 (0.56) CCNA2CDK2CCNA1
SCHEMBL12547063 0.78 GPR119 (0.53) METNQO2SLC2A1
SCHEMBL19266794 0.78 PIK3CB (0.43) XDHMETS1PR1ABL1
SCHEMBL20772850 0.78 HSD17B1 (0.45) IGF1RMETNQO2PARP15PARP10
SCHEMBL24081448 0.78 CKS1B (0.42) METNQO2ABL1
SCHEMBL22310394 0.78 CKS1B (0.42) METNQO2ABL1

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
EP-3919492-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-12-08 — — EP disclosed
WO-2020156453-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR 南京明德新药研发有限公司 2020-08-06 — — WO disclosed
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