SCHEMBL21443586

SCHEMBL21443586

CCOc1cccc(Nc2ncc(F)c(Nc3cccc(C(=O)C=C(C)C)c3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.81
BTK Q06187 6/20 0.81
SYK P43405 8/20 0.72
ITK Q08881 3/20 0.60

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
SCHEMBL29722225 0.89 EGFR (1.00) EGFRBTKSYKITK
SCHEMBL12518577 0.89 EGFR (1.00) EGFRBTKSYKITK
SCHEMBL12518388 0.89 EGFR (1.00) EGFRBTKSYKITK
SCHEMBL29722222 0.88 EGFR (1.00) EGFRBTKSYKITK
SCHEMBL12518655 0.88 EGFR (1.00) EGFRBTKSYKITK
SCHEMBL655971 0.85 SYK (1.00) BTKSYKITK
SCHEMBL12518419 0.81 BTK (1.00) EGFRBTKSYKITK
SCHEMBL29722440 0.81 BTK (1.00) EGFRBTKSYKITK
SCHEMBL24486568 0.81 EGFR (0.81) EGFRBTKSYKITK
SCHEMBL14769302 0.80 EGFR (0.80) EGFRBTKSYKITK

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-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed