SCHEMBL17612957

SCHEMBL17612957

Cc1ccc(C(=O)Nc2cc(CNC(C)C)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.38
BCR P11274 11/20 0.38
DDR1 Q08345 2/20 0.36
DDR2 Q16832 2/20 0.36
BRAF P15056 3/20 0.36
EGFR P00533 2/20 0.36
HTR2A P28223 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
CSF1R P07333 1/20 0.35
HCK P08631 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL17612985 0.88 BRAF (0.38) ABL1BCRDDR1DDR2BRAF
SCHEMBL12465079 0.86 ABL1 (0.51) ABL1BCR
SCHEMBL12465084 0.80 ABL1 (0.51) ABL1BCR
SCHEMBL17612913 0.80 ABL1 (0.48) ABL1BCRBRAFEGFR
SCHEMBL13960452 0.79 ABL1 (0.50) ABL1BCR
SCHEMBL12465299 0.78 ABL1 (0.52) ABL1BCR
SCHEMBL13436419 0.78 ABL1 (0.42) ABL1BCR
SCHEMBL12465093 0.78 ABL1 (0.49) ABL1BCR
SCHEMBL12397808 0.78 ABL1 (0.60) ABL1BCR
SCHEMBL17612946 0.77 ABL1 (0.45) ABL1BCRDDR2FLT1KDR

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-2173734-B1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed