SCHEMBL21391403

SCHEMBL21391403

Cc1ccc(NC(=O)c2cccc(C(C)C#N)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.69
CSF1R P07333 2/20 0.69
PDGFRB P09619 2/20 0.69
DDR1 Q08345 2/20 0.69
ABL1 P00519 5/20 0.55
LCK P06239 1/20 0.45
BLK P51451 1/20 0.45
DDR2 Q16832 1/20 0.45
KDR P35968 3/20 0.43
TEK Q02763 3/20 0.43
BRAF P15056 3/20 0.41
RAF1 P04049 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL21391410 0.93 KIT (0.60) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391406 0.89 KIT (0.57) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391404 0.88 KIT (0.54) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391331 0.85 KIT (0.77) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20707289 0.82 KIT (1.00) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391374 0.81 KIT (0.63) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391400 0.81 KIT (0.63) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391367 0.79 KIT (0.68) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21385153 0.77 KIT (0.66) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL29634986 0.77 KIT (0.66) 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