SCHEMBL21391376

SCHEMBL21391376

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1OC1CCN(C(=O)c2cccs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.63
CSF1R P07333 2/20 0.63
PDGFRB P09619 2/20 0.63
DDR1 Q08345 2/20 0.63
ABL1 P00519 4/20 0.49
BRAF P15056 13/20 0.47
CYP2C9 P11712 4/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
RAF1 P04049 3/20 0.46
LCK P06239 1/20 0.46
BLK P51451 1/20 0.46
DDR2 Q16832 1/20 0.46

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
SCHEMBL21391412 0.86 CSF1R (0.62) KITCSF1RPDGFRBDDR1BRAF
SCHEMBL21391404 0.85 KIT (0.54) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391416 0.85 CSF1R (0.61) KITCSF1RPDGFRBDDR1BRAF
SCHEMBL21391415 0.84 CSF1R (0.60) KITCSF1RPDGFRBDDR1BRAF
SCHEMBL21391377 0.83 KIT (0.66) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL21391381 0.83 KIT (0.61) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20707298 0.78 KIT (0.89) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20707289 0.78 KIT (1.00) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20707306 0.76 KIT (0.79) KITCSF1RPDGFRBDDR1ABL1
SCHEMBL20695986 0.76 KIT (0.76) 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