SCHEMBL4088326

SCHEMBL4088326

NC(=O)c1ccc2c3ccc[nH]c-3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.44
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
PDPK1 O15530 1/20 0.39
PRKCI P41743 1/20 0.39
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL4718800 0.89 CHEK2 (0.50) CHEK2CHEK1PKN1PKN2
SCHEMBL1181806 0.77 ACHE (0.41) KDM4EGLANPC1RAB9A
Ammonia Solution, Strong SCHEMBL27553000 0.73 KDM4E (0.46) CHEK2CHEK1KDM4EGLACSNK2A2
SCHEMBL1180188 0.71 NPC1 (0.47) KDM4EGLANPC1RAB9A
SCHEMBL4507302 0.71 CHEK2 (0.59) CHEK2CHEK1PKN1PKN2
SCHEMBL7377174 0.69 FGFR1 (0.48) CHEK2CHEK1KDM4E
SCHEMBL17967560 0.69 FGFR1 (0.38) NPC1RAB9APDPK1
Hydrochloric Acid SCHEMBL4972256 0.69 GRM2 (0.44) CHEK2CHEK1PKN2PDPK1LCK
SCHEMBL15534807 0.68 CHEK2 (0.46) CHEK2PKN1PKN2
SCHEMBL14740137 0.67 CSNK1A1 (0.42) KDM4ENPC1RAB9ACSNK1A1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO disclosed