SCHEMBL5867536

SCHEMBL5867536

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALPL P05186 1/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DHODH Q02127 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL5867482 0.86 CCNA2 (0.64) KMT2AJAK2JAK1TYK2CCNA2
SCHEMBL5867407 0.83 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867485 0.80 CCNA2 (0.65) L3MBTL1JAK2JAK1CCNA2CDK2
SCHEMBL5867840 0.79 TYK2 (0.46) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL5867516 0.79 CCNA2 (0.76) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL5867752 0.78 CCNA2 (0.64) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL5867823 0.78 HPGD (0.45) MEN1KMT2AL3MBTL1CCNA2CDK2
SCHEMBL5010443 0.77 PPARG (0.56) MEN1KMT2AL3MBTL1ALPLJAK2
SCHEMBL5597832 0.77 ROCK2 (0.52) ALDH1A1
SCHEMBL5867690 0.77 CRACR2A (0.52) MEN1KMT2AL3MBTL1ALPLTYK2

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