SCHEMBL18949816

SCHEMBL18949816

CNC(=O)c1c(Oc2nc(Nc3cc(Cl)c(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)cccc1SC

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.72

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
SCHEMBL18949815 0.89 PTK2 (0.77) PTK2
SCHEMBL19919099 0.84 PTK2 (0.80) PTK2
SCHEMBL12135015 0.84 PTK2 (1.00) PTK2
SCHEMBL18949818 0.84 PTK2 (0.72) PTK2
SCHEMBL12135021 0.83 PTK2 (1.00) PTK2
SCHEMBL12135358 0.82 PTK2 (1.00) PTK2
SCHEMBL19918981 0.82 PTK2 (0.70) PTK2
SCHEMBL19919061 0.82 PTK2 (0.61) PTK2
SCHEMBL12137257 0.81 PTK2 (0.79) PTK2
SCHEMBL19918870 0.81 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
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 — — US disclosed
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