SCHEMBL19918906

SCHEMBL19918906

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(C)(O)NCC3)n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.73

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
SCHEMBL19918905 0.86 PTK2 (0.83) PTK2
SCHEMBL12135103 0.85 PTK2 (1.00) PTK2
SCHEMBL29381547 0.85 PTK2 (1.00) PTK2
SCHEMBL13363753 0.84 PTK2 (0.83) PTK2
SCHEMBL12135238 0.84 PTK2 (1.00) PTK2
SCHEMBL12149277 0.83 PTK2 (1.00) PTK2
SCHEMBL12149408 0.83 PTK2 (0.82) PTK2
SCHEMBL1373737 0.83 PTK2 (0.90) PTK2
SCHEMBL19918898 0.83 PTK2 (0.79) PTK2
SCHEMBL12135016 0.83 PTK2 (1.00) PTK2

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-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 — — EP disclosed
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