SCHEMBL29638580

SCHEMBL29638580

COc1ccc(CNc2ncnc3c(C(=O)Nc4c(C)ccc5c(Cc6cccc(C(F)(F)F)c6)nccc45)csc23)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.46
BRAF P15056 9/20 0.46
AURKA O14965 7/20 0.43
RPS6KB1 P23443 5/20 0.43
CSF1R P07333 5/20 0.41
DDR1 Q08345 5/20 0.41
DDR2 Q16832 5/20 0.41
ARAF P10398 1/20 0.40
AURKB Q96GD4 4/20 0.39
SCD O00767 3/20 0.38
PDPK1 O15530 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL25374156 1.00 RAF1 (0.46) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL25376849 0.93 RAF1 (0.48) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL30402514 0.91 RAF1 (0.50) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL24399704 0.91 RAF1 (0.50) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL30402843 0.90 RAF1 (0.54) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL24399573 0.90 RAF1 (0.54) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL29638589 0.89 RAF1 (0.47) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL24399589 0.89 RAF1 (0.47) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL25375338 0.89 RAF1 (0.49) RAF1BRAFAURKARPS6KB1CSF1R
SCHEMBL30401795 0.89 RAF1 (0.49) RAF1BRAFAURKARPS6KB1CSF1R

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-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed