SCHEMBL5597648

SCHEMBL5597648

O=C(NCc1cccc(F)c1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.51
ROCK2 O75116 2/20 0.50
EPHX2 P34913 1/20 0.48
ROCK1 Q13464 1/20 0.47
LMNA P02545 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
ATG4B Q9Y4P1 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NAMPT P43490 3/20 0.44
ANPEP P15144 1/20 0.43
IDH1 O75874 1/20 0.41

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
SCHEMBL5597668 0.87 MAPK1 (0.57) MAPK1ROCK2ROCK1
SCHEMBL5597550 0.87 MAPK1 (0.55) MAPK1ROCK2ROCK1LMNA
SCHEMBL5597541 0.86 TRPV1 (0.48) LMNAKCNJ6KCNJ5KCNJ3ATG4B
SCHEMBL5597604 0.84 ROCK2 (0.54) MAPK1ROCK2ROCK1LMNAATG4B
SCHEMBL5597567 0.83 MAPK1 (0.54) MAPK1ROCK2ROCK1
SCHEMBL5597862 0.82 MAPK1 (0.50) MAPK1ROCK2EPHX2ROCK1LMNA
SCHEMBL5597556 0.81 MEN1 (0.50) MAPK1ROCK2ROCK1NAMPT
SCHEMBL5597757 0.81 NAMPT (0.49) NAMPT
SCHEMBL5597613 0.81 MEN1 (0.47) MAPK1NAMPT
SCHEMBL5597772 0.81 NPC1 (0.50) MAPK1ROCK2ROCK1LMNA

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