SCHEMBL20430569

SCHEMBL20430569

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC[C@H]3C)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
SCHEMBL12149253 1.00 PTK2 (1.00) PTK2
SCHEMBL12149242 0.89 PTK2 (1.00) PTK2
SCHEMBL12136604 0.87 PTK2 (0.79) PTK2
SCHEMBL12149407 0.87 PTK2 (1.00) PTK2
SCHEMBL12149196 0.86 PTK2 (1.00) PTK2
SCHEMBL15887553 0.86 PTK2 (0.89) PTK2
SCHEMBL12149262 0.86 PTK2 (1.00) PTK2
SCHEMBL12135108 0.86 PTK2 (1.00) PTK2
SCHEMBL12149205 0.86 PTK2 (1.00) PTK2
SCHEMBL12137097 0.86 PTK2 (0.75) 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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