SCHEMBL19918955

SCHEMBL19918955

COc1cc(C(=O)NC2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(O)N(C)C3)n1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.80

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
SCHEMBL19918898 0.93 PTK2 (0.79) PTK2
SCHEMBL23939892 0.90 PTK2 (0.81) PTK2
SCHEMBL19918986 0.89 PTK2 (0.78) PTK2
SCHEMBL12135501 0.89 PTK2 (1.00) PTK2
SCHEMBL12135127 0.85 PTK2 (1.00) PTK2
SCHEMBL12137256 0.85 PTK2 (0.80) PTK2
SCHEMBL23939829 0.85 PTK2 (0.81) PTK2
SCHEMBL12135107 0.85 PTK2 (1.00) PTK2
SCHEMBL23939879 0.85 PTK2 (0.80) PTK2
SCHEMBL19919084 0.84 PTK2 (0.80) 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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