SCHEMBL19918987

SCHEMBL19918987

COc1cc(C(=O)NC2CCNCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.87

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
SCHEMBL19918853 0.94 PTK2 (0.88) PTK2
SCHEMBL31105493 0.94 PTK2 (0.88) PTK2
SCHEMBL12135370 0.93 PTK2 (1.00) PTK2
SCHEMBL12135570 0.92 PTK2 (1.00) PTK2
SCHEMBL19918808 0.91 PTK2 (0.86) PTK2
SCHEMBL13354958 0.89 PTK2 (1.00) PTK2
SCHEMBL12135036 0.89 PTK2 (1.00) PTK2
SCHEMBL25772574 0.87 PTK2 (0.85) PTK2
SCHEMBL19919021 0.87 PTK2 (0.88) PTK2
Ifebemtinib SCHEMBL29767371 0.87 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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