SCHEMBL21649593

SCHEMBL21649593

Cc1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(N(C)S(C)(=O)=O)c3)n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 20/20 0.80
PTK2B Q14289 1/20 0.71

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
SCHEMBL21634223 0.92 PTK2 (0.82) PTK2PTK2B
SCHEMBL21664493 0.91 PTK2 (0.79) PTK2PTK2B
SCHEMBL25649510 0.91 PTK2 (0.88) PTK2PTK2B
SCHEMBL1627482 0.90 PTK2 (0.80) PTK2PTK2B
SCHEMBL16575002 0.90 PTK2 (0.86) PTK2PTK2B
SCHEMBL1628583 0.89 PTK2 (1.00) PTK2PTK2B
SCHEMBL1627471 0.89 PTK2 (1.00) PTK2
SCHEMBL29853265 0.89 PTK2 (1.00) PTK2
SCHEMBL1628527 0.89 PTK2 (1.00) PTK2PTK2B
SCHEMBL1626121 0.89 PTK2 (1.00) PTK2PTK2B

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
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed