SCHEMBL5597832

SCHEMBL5597832

O=C(NCc1ccc(Cl)cc1Cl)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
P2RX7 Q99572 10/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.45
EPHX2 P34913 2/20 0.45
CNR1 P21554 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
AKT3 Q9Y243 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
SCHEMBL5597596 0.87 NPC1 (0.52) ROCK2ROCK1P2RX7ALDH1A1MAPK1
SCHEMBL5597556 0.85 MEN1 (0.50) ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL6387110 0.82 GALR3 (0.47) ROCK2P2RX7
SCHEMBL5597862 0.81 MAPK1 (0.50) ROCK2ROCK1P2RX7ALDH1A1MAPK1
SCHEMBL5597550 0.79 MAPK1 (0.55) ROCK2ROCK1MAPK1
SCHEMBL5597757 0.78 NAMPT (0.49) ALDH1A1
SCHEMBL5867536 0.77 MEN1 (0.51) ALDH1A1
SCHEMBL5597772 0.77 NPC1 (0.50) ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL5597668 0.77 MAPK1 (0.57) ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL5597655 0.76 CNR1 (0.56) ROCK2ALDH1A1CNR1

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 11 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
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 disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
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 disclosed
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 disclosed