SCHEMBL29638510

SCHEMBL29638510

Cc1ccc2c(Nc3ccc(Cl)c(CN(C)C)c3)nccc2c1N1CC=C(N)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.47
RAF1 P04049 4/20 0.47
LCK P06239 4/20 0.34
TEK Q02763 3/20 0.34
KDR P35968 2/20 0.34
WEE1 P30291 1/20 0.34
CCR2 P41597 2/20 0.33
CSF1R P07333 2/20 0.32
DDR1 Q08345 2/20 0.32
DDR2 Q16832 2/20 0.32
CYP1A2 P05177 4/20 0.31
CYP2D6 P10635 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 2/20 0.31
SYK P43405 1/20 0.31
ALOX15 P16050 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16291272 0.78 BRAF (0.57) BRAFRAF1LCKTEKKDR
SCHEMBL30559484 0.78 BRAF (0.57) BRAFRAF1LCKTEKKDR
SCHEMBL29638508 0.74 BRAF (0.35) BRAFRAF1LCKTEKKDR
SCHEMBL15067099 0.72 BRAF (0.51) BRAFRAF1LCKTEKKDR
SCHEMBL30402025 0.72 BRAF (0.51) BRAFRAF1LCKTEKKDR
SCHEMBL29638623 0.68 KDM1A (0.38) BRAFRAF1LCKTEKKDR
SCHEMBL29638749 0.67 BRAF (0.38) BRAFLCKTEKKDR
SCHEMBL24399608 0.66 BRAF (0.78) BRAFRAF1LCKTEKKDR
SCHEMBL30402406 0.66 BRAF (0.78) BRAFRAF1LCKTEKKDR
SCHEMBL30559436 0.65 BRAF (0.43) BRAFRAF1LCKTEKKDR

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