SCHEMBL20430689

SCHEMBL20430689

CNCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3cccc4c3N(C)C(=O)CC4)n2)c(OC)c1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 20/20 0.85

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
SCHEMBL12149390 0.92 PTK2 (1.00) PTK2
SCHEMBL12149387 0.89 PTK2 (1.00) PTK2
SCHEMBL12149408 0.88 PTK2 (0.82) PTK2
SCHEMBL12135610 0.80 PTK2 (1.00) PTK2
SCHEMBL19919029 0.80 PTK2 (0.90) PTK2
SCHEMBL12135613 0.78 PTK2 (1.00) PTK2
SCHEMBL12136998 0.78 PTK2 (0.76) PTK2
SCHEMBL16995441 0.78 LRRK2 (0.70) PTK2
SCHEMBL16130908 0.77 PTK2 (0.90) PTK2
SCHEMBL12137003 0.77 PTK2 (0.76) 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-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 — — EP disclosed
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