SCHEMBL20008381

SCHEMBL20008381

Cc1ncc(-c2cccc(C(F)(F)F)c2)cc1-c1cnc(C)c(N2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.45
BRAF P15056 16/20 0.45
GRIN2B Q13224 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
GRIN1 Q05586 2/20 0.43

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
SCHEMBL20008331 0.86 RAF1 (0.43) RAF1BRAFGRIN2BGRIN1
SCHEMBL20008472 0.83 RAF1 (0.38) RAF1BRAF
SCHEMBL23654808 0.76 RAF1 (0.41) RAF1BRAFGRIN2BGRIN1
SCHEMBL20008281 0.76 GRIN2B (0.52) GRIN2BKDM4EATMGRIN1
SCHEMBL20008486 0.75 CNR2 (0.45) RAF1BRAFGRIN2BGRIN1
SCHEMBL20049822 0.72 ALDH1A1 (0.51) GRIN2BATMGRIN1
SCHEMBL20008475 0.71 RAF1 (0.39) RAF1BRAF
SCHEMBL21934312 0.70 RAF1 (0.85) RAF1BRAF
SCHEMBL23654455 0.70 GRIN2B (0.39) RAF1BRAFGRIN2BGRIN1
SCHEMBL20171236 0.70 ALDH1A1 (0.50) GRIN2BATMGRIN1

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed