SCHEMBL5597709

SCHEMBL5597709

Nc1ccc(NC(=O)Nc2cc(C3CC3)n[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KCNJ6 P48051 5/20 0.39
KCNJ3 P48549 5/20 0.39
KCNJ5 P48544 3/20 0.39
DDX3X O00571 1/20 0.39
JAK3 P52333 1/20 0.37
KDR P35968 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5597685 0.88 MAOA (0.44) MAPTGAAEPHX1CYP3A4CYP2C19
SCHEMBL5597907 0.87 DDX3X (0.57) MAPTKCNJ6KCNJ3KCNJ5DDX3X
SCHEMBL5597942 0.86 TP53 (0.47) RAB9AMAPTEPHX1KCNJ6KCNJ3
SCHEMBL5597539 0.85 KMT2A (0.55) RAB9ACA12CA1CA2CA9
SCHEMBL5597553 0.84 MAPT (0.51) RAB9AMAPTGAAEPHX1CYP3A4
SCHEMBL5597817 0.83 MEN1 (0.43) RAB9AMAPTGAACA12CA1
SCHEMBL5597454 0.81 ALDH1A1 (0.52) RAB9AMAPTGAAEPHX1CYP3A4
SCHEMBL4122716 0.81 MAPT (0.46) MAPTGAAKCNJ6KCNJ3MEN1
SCHEMBL5597734 0.80 ALDH1A1 (0.41) RAB9AGAACYP3A4CYP2C19CA2
SCHEMBL5597514 0.80 TRPV1 (0.44) MAPTKCNJ6KCNJ3KCNJ5DDX3X

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