SCHEMBL29638684

SCHEMBL29638684

Cc1ccc2c(C(O)c3ccc(C(F)(F)F)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.57
RAF1 P04049 11/20 0.57
CSF1R P07333 10/20 0.57
DDR2 Q16832 6/20 0.57
DDR1 Q08345 5/20 0.57
ARAF P10398 1/20 0.55
CYP2C9 P11712 1/20 0.38
ERN1 O75460 1/20 0.37
AKT1 P31749 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
MELK Q14680 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
SCHEMBL25374894 1.00 BRAF (0.57) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL24399672 0.91 BRAF (0.59) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL29638695 0.91 BRAF (0.59) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL29638527 0.91 RAF1 (0.57) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL24399677 0.91 RAF1 (0.57) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL24399592 0.90 BRAF (0.71) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL29638680 0.90 BRAF (0.71) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL24399665 0.88 BRAF (0.72) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL29638588 0.88 BRAF (0.72) BRAFRAF1CSF1RDDR2DDR1
SCHEMBL25375274 0.84 BRAF (0.56) BRAFRAF1CSF1RDDR2DDR1

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