SCHEMBL29638600

SCHEMBL29638600

Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1N1CN=C(N)c2c(F)cccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.44
CSF1R P07333 1/20 0.44
ARAF P10398 1/20 0.44
BRAF P15056 1/20 0.44
DDR1 Q08345 1/20 0.44
DDR2 Q16832 1/20 0.44
IDO1 P14902 1/20 0.37
EGFR P00533 15/20 0.37
GRM4 Q14833 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29638590 0.88 RAF1 (0.44) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638581 0.84 RAF1 (0.43) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638578 0.84 RAF1 (0.43) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638545 0.84 RAF1 (0.43) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638629 0.83 RAF1 (0.41) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638706 0.83 RAF1 (0.45) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638661 0.79 EGFR (0.45) RAF1CSF1RARAFBRAFDDR1
SCHEMBL24399558 0.77 RAF1 (0.54) RAF1CSF1RARAFBRAFDDR1
SCHEMBL30162852 0.77 RAF1 (0.54) RAF1CSF1RARAFBRAFDDR1
SCHEMBL29638498 0.77 RAF1 (0.42) RAF1CSF1RARAFBRAFDDR1

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