SCHEMBL20008412

SCHEMBL20008412

CNc1cnc(C)c(-c2cc3[nH]cnc3c(N3CCCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.56
BRAF P15056 16/20 0.56
ABL1 P00519 1/20 0.33
SYK P43405 1/20 0.32
BTK Q06187 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
IP6K1 Q92551 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
SCHEMBL16094722 0.75 RAF1 (0.59) RAF1BRAFSYKBTK
SCHEMBL20008422 0.73 PIK3CA (0.38) RAF1BRAFROCK2ROCK1
SCHEMBL16121331 0.72 BRAF (1.00) RAF1BRAF
SCHEMBL16121540 0.72 RAF1 (1.00) RAF1BRAF
SCHEMBL20008211 0.72 BRAF (0.36) RAF1BRAF
SCHEMBL16121284 0.71 RAF1 (1.00) RAF1BRAF
SCHEMBL16121723 0.71 BRAF (1.00) RAF1BRAF
SCHEMBL16121547 0.70 RAF1 (1.00) RAF1BRAF
SCHEMBL16121628 0.70 RAF1 (1.00) RAF1BRAF
SCHEMBL16121279 0.70 BRAF (1.00) RAF1BRAF

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