SCHEMBL20008461

SCHEMBL20008461

CCCc1ncc(-c2cc(N)cnc2C)cc1N1CCCC1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 10/20 0.35
SMARCA2 P51531 7/20 0.35
SMARCA4 P51532 6/20 0.35
NR1I2 O75469 4/20 0.35
NR1H2 P55055 2/20 0.35
MAP3K12 Q12852 1/20 0.34
RAF1 P04049 1/20 0.34
PDE10A Q9Y233 3/20 0.33
GFER P55789 1/20 0.33
NR1H3 Q13133 2/20 0.32
ABL1 P00519 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL16095043 0.69 RAF1 (0.58) RAF1
SCHEMBL16094699 0.69 RAF1 (0.58) RAF1
SCHEMBL16094697 0.69 RAF1 (0.58) RAF1
SCHEMBL20008289 0.68 RAF1 (0.37) RAF1
SCHEMBL20008598 0.67 ABL1 (0.33) ABL1
SCHEMBL20008287 0.66 RAF1 (0.44) RAF1
SCHEMBL20009417 0.65 RAF1 (0.42) RAF1PDE10A
SCHEMBL19529245 0.64 RAF1 (0.47) RAF1
SCHEMBL4674143 0.64 JAK3 (0.45) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL29177364 0.63 PBRM1 (0.47) PBRM1SMARCA2SMARCA4NR1I2NR1H2

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