SCHEMBL18949902

SCHEMBL18949902

COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 1.00

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
SCHEMBL12135670 1.00 PTK2 (1.00) PTK2
SCHEMBL12135680 1.00 PTK2 (1.00) PTK2
SCHEMBL12135027 0.94 PTK2 (1.00) PTK2
SCHEMBL13354825 0.94 PTK2 (1.00) PTK2
SCHEMBL12135023 0.94 PTK2 (1.00) PTK2
SCHEMBL23939817 0.91 PTK2 (1.00) PTK2
SCHEMBL12135684 0.91 PTK2 (1.00) PTK2
SCHEMBL12135714 0.91 PTK2 (1.00) PTK2
SCHEMBL12135141 0.90 PTK2 (1.00) PTK2
SCHEMBL16130910 0.90 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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