SCHEMBL27563778

SCHEMBL27563778

O=C(Cc1ccsc1)Nc1cc(C2CC2)[nH]n1.O=C(Nc1ncco1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.56
▸ CCNA2 P20248 15/20 0.56
▸ CCNA1 P78396 15/20 0.56
▸ CCNE1 P24864 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ CCNB2 O95067 1/20 0.50
▸ CCNE2 O96020 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CCNB3 Q8WWL7 1/20 0.50
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL27564788 0.88 CDK2 (0.53) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL27564786 0.83 CDK2 (0.47) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867719 0.74 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL4314346 0.73 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL28750548 0.73 CCNE1 (0.57) CDK2CCNA2CCNE1CDK5CDK5R1
SCHEMBL5867768 0.72 CDK2 (0.74) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867894 0.72 CDK2 (0.64) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867527 0.70 CDK2 (0.75) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867579 0.70 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL6385145 0.70 CDK2 (0.90) CDK2CCNA2CCNA1CCNE1CDK5

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-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 — — CN claimed
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 — — CN disclosed
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