SCHEMBL21391397

SCHEMBL21391397

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(Cl)c(OC3CCN(C(=O)c4cccnc4)CC3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.58
PDGFRB P09619 1/20 0.58
KIT P10721 1/20 0.58
DDR1 Q08345 1/20 0.58
BRAF P15056 12/20 0.53
CYP2C9 P11712 4/20 0.51
NAMPT P43490 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
REV1 Q9UBZ9 1/20 0.45

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
SCHEMBL20695991 0.89 CSF1R (0.70) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL21391318 0.87 CSF1R (0.55) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL20695981 0.81 KIT (0.86) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL20707299 0.81 CSF1R (0.72) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL21391367 0.79 KIT (0.68) CSF1RPDGFRBKITDDR1NAMPT
SCHEMBL21391377 0.78 KIT (0.66) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL21391410 0.77 KIT (0.60) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL21391415 0.77 CSF1R (0.60) CSF1RPDGFRBKITDDR1BRAF
SCHEMBL21385153 0.77 KIT (0.66) CSF1RPDGFRBKITDDR1NAMPT
SCHEMBL29634986 0.77 KIT (0.66) CSF1RPDGFRBKITDDR1NAMPT

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