SCHEMBL6898456

SCHEMBL6898456

NC(=O)C1C=Nc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
IDO1 P14902 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.30
BRPF1 P55201 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL35211808 1.00 CES2 (0.33) CES2CES1EGFRSRCLMNA
SCHEMBL2904167 0.86 MAPT (0.40) CES2CES1EGFRLMNAMAPT
SCHEMBL25430666 0.75 MAPT (0.46) LMNAMAPTALDH1A1IDO1GAA
SCHEMBL38659796 0.75 MAPK10 (0.36) LMNAMAPTALDH1A1IDO1GAA
SCHEMBL19909186 0.72 RAB9A (0.34) MAPTALDH1A1IDO1GAARAB9A
SCHEMBL8960968 0.72 RAB9A (0.34) LMNAMAPTALDH1A1GAARAB9A
SCHEMBL24289554 0.70
SCHEMBL3669787 0.70 EGFR (0.42) EGFRMAPTALDH1A1GAARAB9A
SCHEMBL28214746 0.69 CREBBP (0.38) MAPTGAARAB9ACREBBP
SCHEMBL31582338 0.69 ALDH1A1 (0.35) LMNAMAPTALDH1A1RAB9ABRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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