SCHEMBL13191369

SCHEMBL13191369

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(C)n1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.81
▸ PTK2 Q05397 19/20 0.77

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
SCHEMBL1376283 0.91 LRRK2 (0.80) LRRK2PTK2
SCHEMBL7449659 0.90 LRRK2 (1.00) LRRK2PTK2
SCHEMBL20430649 0.87 PTK2 (0.89) PTK2
SCHEMBL12149371 0.87 PTK2 (1.00) LRRK2PTK2
SCHEMBL12656986 0.86 LRRK2 (0.74) LRRK2PTK2
SCHEMBL12656975 0.86 LRRK2 (0.81) LRRK2PTK2
SCHEMBL1373737 0.86 PTK2 (0.90) PTK2
SCHEMBL12149354 0.86 PTK2 (1.00) LRRK2PTK2
SCHEMBL12149270 0.86 PTK2 (1.00) PTK2
SCHEMBL15887558 0.85 PTK2 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 — — EP disclosed
WO-2010106097-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — WO disclosed
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