SCHEMBL21443532

SCHEMBL21443532

CNc1ccc(Nc2nc(Nc3cccc(OC)c3)ncc2C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.77
EGFR P00533 8/20 0.72
BTK Q06187 5/20 0.72
ULK1 O75385 2/20 0.68
SYK P43405 2/20 0.63
AURKA O14965 2/20 0.61
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 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
SCHEMBL12519451 0.84 EGFR (1.00) PTK2EGFRBTK
SCHEMBL29722381 0.84 EGFR (1.00) PTK2EGFRBTK
SCHEMBL29575102 0.84 ULK1 (0.68) PTK2EGFRBTKULK1SYK
SCHEMBL17544883 0.84 ULK1 (0.68) PTK2EGFRBTKULK1SYK
SCHEMBL24486552 0.83 EGFR (0.81) PTK2EGFRBTKULK1SYK
SCHEMBL17547575 0.83 EGFR (0.64) PTK2EGFRBTKULK1SYK
SCHEMBL17547564 0.83 EGFR (0.64) PTK2EGFRBTKULK1SYK
SCHEMBL17544374 0.81 ULK1 (1.00) PTK2EGFRBTKULK1SYK
SCHEMBL17544699 0.81 ULK1 (0.92) PTK2EGFRBTKULK1SYK
SCHEMBL12519518 0.81 EGFR (1.00) PTK2EGFRBTK

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