SCHEMBL20008248

SCHEMBL20008248

Cc1cnc(C)c(-c2cc(N3CCCCC3)c(CC3CCCCC3)nn2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.37
OPRK1 P41145 9/20 0.36
NPY5R Q15761 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
NR1I2 O75469 2/20 0.34
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
PBRM1 Q86U86 2/20 0.34
CACNA2D1 P54289 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL20008296 0.81 SMARCA2 (0.40) KMOOPRK1RAF1BRAFNR1I2
SCHEMBL20009213 0.79 RAF1 (0.47) RAF1BRAF
SCHEMBL20010168 0.72 BRAF (0.51) RAF1BRAF
SCHEMBL20008238 0.70 KMO (0.37) KMORAF1BRAF
SCHEMBL20008486 0.68 CNR2 (0.45) KMOOPRK1RAF1BRAFCNR2
SCHEMBL20009643 0.66 BRAF (0.43) KMORAF1BRAFNR1I2SMARCA2
SCHEMBL20008469 0.65 CNR2 (0.38) RAF1BRAFCNR2
SCHEMBL20008331 0.65 RAF1 (0.43) RAF1BRAF
SCHEMBL20008302 0.63 RAF1 (0.42) KMORAF1BRAF
SCHEMBL20008328 0.63 CNR2 (0.48) RAF1BRAFCNR2

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