SCHEMBL16995441

SCHEMBL16995441

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

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.70
▸ PTK2 Q05397 6/20 0.54
▸ TTK P33981 1/20 0.51

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
SCHEMBL12065489 0.83 LRRK2 (1.00) LRRK2PTK2TTK
SCHEMBL1611693 0.81 LRRK2 (0.68) LRRK2PTK2
SCHEMBL13191369 0.80 LRRK2 (0.81) LRRK2PTK2
SCHEMBL16995419 0.78 PTK2 (0.53) LRRK2PTK2TTK
SCHEMBL20430689 0.78 PTK2 (0.85) PTK2
SCHEMBL30680146 0.75 LRRK2 (0.76) LRRK2TTK
SCHEMBL21761352 0.75 LRRK2 (0.76) LRRK2TTK
SCHEMBL21855436 0.75 LRRK2 (0.76) LRRK2TTK
SCHEMBL7458679 0.74 LRRK2 (1.00) LRRK2TTK
SCHEMBL14556239 0.74 LRRK2 (0.75) LRRK2PTK2TTK

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-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 — — EP disclosed
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