SCHEMBL14823153

SCHEMBL14823153

COCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3Cc4ccccc4[C@H]3N(C)S(C)(=O)=O)n2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.62
▸ PTK2 Q05397 11/20 0.53

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
SCHEMBL12562686 0.94 PTK2 (0.55) LRRK2PTK2
SCHEMBL1941927 0.90 PTK2 (0.50) LRRK2PTK2
SCHEMBL1941930 0.90 PTK2 (0.50) LRRK2PTK2
SCHEMBL14806703 0.89 PTK2 (0.58) LRRK2PTK2
SCHEMBL14823163 0.89 LRRK2 (0.49) LRRK2PTK2
SCHEMBL12562710 0.89 PTK2 (0.58) LRRK2PTK2
SCHEMBL1943773 0.88 LRRK2 (0.66) LRRK2PTK2
SCHEMBL14823165 0.88 PTK2 (0.55) LRRK2PTK2
SCHEMBL1943769 0.88 LRRK2 (0.66) LRRK2PTK2
SCHEMBL12563022 0.88 LRRK2 (0.69) LRRK2PTK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435411-B1 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
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