SCHEMBL16995287

SCHEMBL16995287

Cc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NCC1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CHEK1 O14757 2/20 0.40
▸ PBK Q96KB5 6/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ PTK2 Q05397 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL8262274 0.94 CDK2 (0.50) CDK2CCNA2CDK1CCNB1CHEK1
SCHEMBL8219744 0.94 CDK2 (0.50) CDK2CCNA2CDK1CCNB1CHEK1
SCHEMBL8261337 0.84 CCNA2 (0.57) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL8219257 0.83 CDK2 (0.56) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL8219161 0.83 CCNA2 (0.63) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL13543788 0.80 CCNA2 (0.48) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL8228006 0.79 CDK2 (0.49) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL8226199 0.79 CCNA2 (0.53) CDK2CCNA2CDK1CCNB1ADORA2A
SCHEMBL16995283 0.79 PDGFRA (0.40) CDK2CCNA2CDK1CCNB1
SCHEMBL8296007 0.78 CDK2 (0.50) CDK2CCNA2CDK1CCNB1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP disclosed
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