SCHEMBL5867567

SCHEMBL5867567

CCCSc1ncccc1C(=O)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.57
KDR P35968 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 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
SCHEMBL5867797 0.83 HSD11B1 (0.59) HSD11B1CCNA2CDK2CCNA1
SCHEMBL5867902 0.77 MAPT (0.49) ALDH1A1KDM4EMAPK1KMT2APOLB
SCHEMBL5867690 0.76 CRACR2A (0.52) RAB9AALDH1A1L3MBTL1KMT2APOLB
SCHEMBL5867747 0.75 RAB9A (0.51) KDRRAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL5867482 0.74 CCNA2 (0.64) RAB9AKMT2APOLBCCNA2CDK2
SCHEMBL5867534 0.73 CCNA2 (0.62) RAB9AALDH1A1L3MBTL1KMT2ACCNA2
SCHEMBL19248169 0.73 HSD11B1 (1.00) HSD11B1RAB9AALDH1A1KDM4E
SCHEMBL5867557 0.73 KCNK3 (0.50) RAB9AL3MBTL1KDM4EMAPK1KMT2A
SCHEMBL5868165 0.73 KDM4E (0.61) RAB9AALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL5867402 0.71 MMP3 (0.48) RAB9AALDH1A1KMT2APOLBCCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US 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