SCHEMBL5765302

SCHEMBL5765302

CC(C)(C)OC(=O)NC1CCN(c2cccc3ccc(-n4cnc5cc(OCCCN6CCOCC6)ccc54)nc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.52
RIPK2 O43353 1/20 0.52
ULK1 O75385 1/20 0.52
STK10 O94804 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LATS1 O95835 1/20 0.52
PAK4 O96013 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
CDK1 P06493 1/20 0.52
APRT P07741 1/20 0.52
RET P07949 1/20 0.52
PDGFRB P09619 1/20 0.52
PHKG2 P15735 1/20 0.52
NQO2 P16083 1/20 0.52
PDGFRA P16234 1/20 0.52
FECH P22830 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52

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
SCHEMBL5766532 0.89 MAP4K4 (0.54) GAKRIPK2ULK1STK10PRKD3
SCHEMBL5764615 0.87 MAP4K4 (0.48) GAKRIPK2ULK1STK10PRKD3
SCHEMBL5766844 0.87 ALDH1A1 (0.49) GAKRIPK2ULK1STK10PRKD3
Morpholine SCHEMBL5764394 0.87 IRAK4 (0.52) GAKRIPK2ULK1STK10PRKD3
SCHEMBL5764392 0.86 MAP4K4 (0.51) GAKRIPK2ULK1STK10PRKD3
SCHEMBL3842680 0.86 IRAK4 (0.52) GAKRIPK2ULK1STK10PRKD3
SCHEMBL5765202 0.86 MAP4K4 (0.51) GAKRIPK2ULK1STK10PRKD3
SCHEMBL4678752 0.85 MAP4K4 (0.73) GAKRIPK2ULK1STK10PRKD3
SCHEMBL4679785 0.84 CDK2 (0.69) GAKRIPK2ULK1STK10PRKD3
Hydrochloric Acid SCHEMBL5764183 0.84 CDK2 (0.68) GAKRIPK2ULK1STK10PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed