SCHEMBL16200528

SCHEMBL16200528

CNc1ccc(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 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.52
▸ PTK2 Q05397 2/20 0.49
▸ ULK1 O75385 1/20 0.46
▸ ULK2 Q8IYT8 1/20 0.46
▸ EGFR P00533 2/20 0.45
▸ ALK Q9UM73 2/20 0.43

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
SCHEMBL12562970 0.92 EGFR (0.48) LRRK2PTK2EGFRALK
SCHEMBL12562893 0.91 PTK2 (0.47) LRRK2PTK2EGFRALK
SCHEMBL14806704 0.91 LRRK2 (0.49) LRRK2PTK2EGFRALK
SCHEMBL1943155 0.90 LRRK2 (0.49) LRRK2PTK2EGFRALK
SCHEMBL14823152 0.89 PTK2 (0.51) LRRK2PTK2ULK1ULK2EGFR
SCHEMBL14806703 0.88 PTK2 (0.58) LRRK2PTK2
SCHEMBL14806667 0.87 PTK2 (0.46) LRRK2PTK2ULK1ULK2EGFR
SCHEMBL12562692 0.87 EGFR (0.48) LRRK2PTK2EGFRALK
SCHEMBL1943345 0.87 ALK (0.60) PTK2EGFRALK
SCHEMBL1941994 0.86 EGFR (0.65) PTK2EGFRALK

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-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
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