SCHEMBL4642968

SCHEMBL4642968

NC(=O)COc1cccc(Nc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
GRM4 Q14833 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.43
PRKACA P17612 1/20 0.43
PRKCD Q05655 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
GLA P06280 1/20 0.43
PLAU P00749 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL7777484 0.78 EGFR (0.56) SIRT2MAPK1NPC1RAB9APLAU
SCHEMBL7968715 0.76 MEN1 (0.66) ROCK1AURKBGRM4MAPK1NPC1
SCHEMBL479065 0.76 NPC1 (0.50) MAPK1NPC1RAB9AMAPTKMT2A
SCHEMBL1795133 0.74 GRM4 (0.53) GRM4KDM4EMAPK1NPC1RAB9A
SCHEMBL7105114 0.72 NPC1 (0.63) AURKAAURKBKDM4ENPC1RAB9A
SCHEMBL30073949 0.72 NPC1 (0.63) AURKAAURKBKDM4ENPC1RAB9A
SCHEMBL23455564 0.71 ROCK1 (0.64) ROCK1KDM4EMAPK1NPC1RAB9A
SCHEMBL28486140 0.71 JAK2 (0.43) SIRT2NPC1RAB9APKMLMNA
SCHEMBL1881868 0.71 AURKA (0.57) AURKAAURKBNPC1RAB9ATLR4
SCHEMBL1881867 0.71 AURKA (0.57) AURKAAURKBNPC1RAB9ATLR4

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-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO disclosed