SCHEMBL5764840

SCHEMBL5764840

NCC1CCN(c2cccc3ccc(-n4cnc5cc(OCC6CC6)ccc54)nc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.62
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62
ULK1 O75385 1/20 0.62
STK10 O94804 1/20 0.62
PRKD3 O94806 1/20 0.62
MAP4K4 O95819 1/20 0.62
LATS1 O95835 1/20 0.62
PAK4 O96013 1/20 0.62
NTRK1 P04629 1/20 0.62
LCK P06239 1/20 0.62
CDK1 P06493 1/20 0.62
APRT P07741 1/20 0.62
RET P07949 1/20 0.62
PDGFRB P09619 1/20 0.62
PHKG2 P15735 1/20 0.62
NQO2 P16083 1/20 0.62
PDGFRA P16234 1/20 0.62
FECH P22830 1/20 0.62
CDK2 P24941 1/20 0.62

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
SCHEMBL3836214 0.92 IRAK4 (0.72) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766782 0.90 IRAK4 (0.62) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5764257 0.89 IRAK4 (0.61) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5764845 0.89 IRAK4 (0.61) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766664 0.88 IRAK4 (0.60) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5764237 0.84 IRAK4 (0.56) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5766337 0.82 IRAK4 (0.71) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5762977 0.82 IRAK4 (0.76) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5763184 0.80 IRAK4 (0.71) IRAK4GAKRIPK2ULK1STK10
SCHEMBL5765390 0.80 IRAK4 (0.59) IRAK4GAKRIPK2ULK1STK10

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
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US claimed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP claimed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO claimed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 WO 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