SCHEMBL21391406

SCHEMBL21391406

Cc1ccc(NC(=O)c2cccc(C(C)C#N)c2)cc1OC1CCN(C(=O)c2ccno2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.57
CSF1R P07333 2/20 0.57
PDGFRB P09619 2/20 0.57
DDR1 Q08345 2/20 0.57
ABL1 P00519 5/20 0.46
LCK P06239 1/20 0.43
BLK P51451 1/20 0.43
DDR2 Q16832 1/20 0.43
RAF1 P04049 9/20 0.42
BRAF P15056 9/20 0.42
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
GPR6 P46095 1/20 0.39

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
SCHEMBL21391403 0.89 KIT (0.69) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391410 0.87 KIT (0.60) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391377 0.86 KIT (0.66) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391334 0.86 KIT (0.62) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20695966 0.84 KIT (0.79) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391404 0.84 KIT (0.54) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391318 0.78 CSF1R (0.55) KITCSF1RPDGFRBDDR1RAF1
SCHEMBL20695975 0.77 KIT (0.60) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391330 0.73 PRKAA2 (0.48) KITCSF1RPDGFRBDDR1KDR
SCHEMBL21391331 0.73 KIT (0.77) KITCSF1RPDGFRBDDR1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178801-A1 NOVEL PHENOXY PIPERIDINE DERIVATIVE AND USES THEREOF 中国科学院合肥物质科学研究院 2019-09-26 WO disclosed