SCHEMBL5867802

SCHEMBL5867802

O=C(Cc1csc(NC(=O)CSc2ccccn2)n1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.51
▸ CCNA2 P20248 6/20 0.51
▸ CCNA1 P78396 6/20 0.51
▸ CCNE1 P24864 10/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ CDK5R1 Q15078 2/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ CCNE2 O96020 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CDK9 P50750 1/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE1C Q14123 1/20 0.43

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
SCHEMBL27575997 0.89 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867759 0.81 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867894 0.81 CDK2 (0.64) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5717607 0.78 KMT2A (0.56) POLBSMN1; SMN2TDP1PDE5APDE1A
SCHEMBL5717595 0.77 KMT2A (0.55) POLBSMN1; SMN2TDP1PDE5APDE1A
SCHEMBL5867861 0.76 CDK2 (0.70) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867440 0.76 CDK2 (0.66) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867826 0.72 CDK2 (0.50) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL31587348 0.72 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5868018 0.70 CDK2 (0.58) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 — — EP claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 — — EP claimed
JP-2003507329-A — — 2003-02-25 — — JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 — — EP claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 — — WO claimed
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 — — US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 — — EP disclosed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 — — EP disclosed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 — — EP disclosed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 — — WO disclosed
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