SCHEMBL5597705

SCHEMBL5597705

COc1ccc(NC(=O)Nc2cc(C3CC3)n[nH]2)cc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.45
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
MAPT P10636 8/20 0.45
ALDH1A1 P00352 5/20 0.45
HTT P42858 4/20 0.45
USP2 O75604 2/20 0.45
CHEK1 O14757 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PYGL P06737 1/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 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
SCHEMBL5597609 0.96 CHEK1 (0.48) RUVBL1MEN1KMT2AMAPTALDH1A1
SCHEMBL5597565 0.88 MAPT (0.52) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL5597515 0.81 MAPT (0.53) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5597681 0.78 TP53 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5487500 0.76 CDK2 (0.38) MAPK1GAASMN1; SMN2
SCHEMBL5597685 0.76 MAOA (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5597734 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HTTCYP3A4
SCHEMBL5597878 0.76 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5597709 0.75 RAB9A (0.50) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL5597870 0.75 KDM4E (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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 10 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
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN 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
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed