SCHEMBL27824871

SCHEMBL27824871

NCc1ccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.52
▸ CDK5R1 Q15078 2/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ ACVR1 Q04771 1/20 0.52
▸ TAOK1 Q7L7X3 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ KDR P35968 4/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCND3 P30281 2/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45

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
SCHEMBL2331567 0.82 RAB9A (0.54) CDK5CDK5R1CSF1RPDGFRBGSK3A
SCHEMBL2326791 0.82 MAPK1 (0.60) CDK5CDK5R1PDGFRBKDRCDK1
SCHEMBL2327157 0.78 SMN1; SMN2 (0.50) CDK5CDK5R1CDK9KDRCDK1
SCHEMBL2326760 0.78 CDK1 (0.51) CDK5CDK5R1CSF1RPDGFRBGSK3A
SCHEMBL2330481 0.78 KDR (0.46) CDK5CDK5R1CSF1RPDGFRBGSK3A
SCHEMBL2443461 0.77 KDR (0.42) CDK5CDK5R1CSF1RPDGFRBGSK3A
SCHEMBL2321693 0.77 CDK1 (0.65) CDK5CDK5R1CDK9KDRCDK1
SCHEMBL2330631 0.77 KDR (0.46) CDK5CDK5R1CSF1RPDGFRBGSK3A
SCHEMBL2323869 0.75 CDK2 (0.52) CDK5CDK5R1GSK3ACDK9KDR
SCHEMBL2323714 0.75 CDK1 (0.49) CDK5CDK5R1CSF1RPDGFRBGSK3A

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-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN claimed
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 — — CN disclosed
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