SCHEMBL5597604

SCHEMBL5597604

COc1cccc(CNC(=O)Nc2cc(C3CC3)n[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.54
ROCK1 Q13464 2/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MMP13 P45452 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47

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
SCHEMBL5868067 0.85 CDK2 (0.67) ROCK1ALDH1A1MEN1GAAKMT2A
SCHEMBL5597550 0.84 MAPK1 (0.55) ROCK2ROCK1LMNACCNA2CDK2
SCHEMBL5597471 0.84 ALDH1A1 (0.56) ROCK2ROCK1ALDH1A1MEN1LMNA
SCHEMBL5597648 0.84 MAPK1 (0.51) ROCK2ROCK1LMNAMAPK1ATG4B
SCHEMBL5597681 0.83 TP53 (0.54) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL5597670 0.82 TRPV1 (0.50) ROCK2ALDH1A1ALOX15MAPK1
SCHEMBL5597541 0.81 TRPV1 (0.48) MEN1LMNAGAAKMT2ACCNA2
SCHEMBL5597613 0.81 MEN1 (0.47) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL20181399 0.80 ROCK2 (0.69) ROCK2ROCK1MAPTALDH1A1MEN1
SCHEMBL5597772 0.80 NPC1 (0.50) ROCK2ROCK1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP claimed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP claimed
JP-2003507328-A 2003-02-25 JP claimed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US claimed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO claimed
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed