SCHEMBL29638645

SCHEMBL29638645

Cc1ccc2c(Nc3c(F)c(F)cc(F)c3F)nccc2c1N1CN=C(N)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.33
LCK P06239 6/20 0.33
TEK Q02763 6/20 0.33
KDR P35968 4/20 0.33
DHODH Q02127 1/20 0.32
MAPK14 Q16539 2/20 0.31
RAF1 P04049 2/20 0.30
CSF1R P07333 2/20 0.30
DDR1 Q08345 2/20 0.30
DDR2 Q16832 2/20 0.30
ARAF P10398 1/20 0.30

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
SCHEMBL29638490 0.90 MAPK14 (0.31) BRAFMAPK14RAF1CSF1RDDR1
SCHEMBL29638669 0.82 TNNI3K (0.35) KDRMAPK14
SCHEMBL29638749 0.81 BRAF (0.38) BRAFLCKTEKKDR
SCHEMBL29638623 0.79 KDM1A (0.38) BRAFLCKTEKKDRRAF1
SCHEMBL29638518 0.79 FGFR1 (0.36) BRAFKDRMAPK14RAF1
SCHEMBL29638508 0.79 BRAF (0.35) BRAFLCKTEKKDRRAF1
SCHEMBL29638706 0.76 RAF1 (0.45) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638578 0.76 RAF1 (0.43) BRAFRAF1CSF1RDDR1DDR2
SCHEMBL29638666 0.75 MAPK1 (0.36) BRAFLCKTEKKDRRAF1
SCHEMBL29638567 0.75 BRAF (0.36) BRAFLCKTEKKDRMAPK14

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