SCHEMBL17997441

SCHEMBL17997441

O=C(Nc1cnc2[nH]ccc2c1)c1cc2ccc(F)cc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.50
BRAF P15056 8/20 0.43
EGFR P00533 3/20 0.43
RET P07949 1/20 0.42
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CDK8 P49336 2/20 0.40

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
SCHEMBL17997436 0.92 ECE1 (0.51) ECE1BRAFEGFRRETABL1
SCHEMBL17997461 0.92 ECE1 (0.51) ECE1BRAFEGFRRETABL1
SCHEMBL17997438 0.87 ECE1 (0.55) ECE1BRAFEGFRRETCDK8
SCHEMBL3805268 0.87 ECE1 (0.57) ECE1BRAFEGFRRETABL1
SCHEMBL17997440 0.84 ECE1 (0.46) ECE1BRAFEGFRRETABL1
SCHEMBL926408 0.84 TNIK (0.52) TNIKCDK8
SCHEMBL27829367 0.81 TNIK (0.44) BRAFTNIK
SCHEMBL927457 0.80 TNIK (0.49) ECE1BRAFTNIKCDK8
SCHEMBL27829311 0.80 CDK8 (0.45) BRAFTNIKCDK8
SCHEMBL15300101 0.80 ECE1 (0.45) ECE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP claimed
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed