SCHEMBL20009709

SCHEMBL20009709

CCCCc1nnc(-c2cc(NC)ccc2C)cc1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.39
RAF1 P04049 16/20 0.36
NPY5R Q15761 1/20 0.35
NR1I2 O75469 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL20008238 0.76 KMO (0.37) BRAFRAF1
SCHEMBL20009415 0.75 RAF1 (0.37) BRAFRAF1
SCHEMBL20008778 0.74 RAF1 (0.37) BRAFRAF1
SCHEMBL20009643 0.72 BRAF (0.43) BRAFRAF1NR1I2SMARCA2SMARCA4
SCHEMBL20008213 0.72 RAF1 (0.38) BRAFRAF1NPY5R
SCHEMBL20008197 0.69 RAF1 (0.39) BRAFRAF1
SCHEMBL20008496 0.69 RAF1 (0.37) BRAFRAF1
SCHEMBL20008341 0.68 RAF1 (0.38) BRAFRAF1
SCHEMBL20009443 0.67 RAF1 (0.37) BRAFRAF1
SCHEMBL20008313 0.65 ROCK2 (0.41) BRAFRAF1NR1I2SMARCA2SMARCA4

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