SCHEMBL20752248

SCHEMBL20752248

CNc1nc(Nc2ccc(OCC(C)O)c(C#N)c2)ncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 17/20 0.49
▸ SYK P43405 1/20 0.47
▸ AURKA O14965 1/20 0.47

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
SCHEMBL20752084 0.91 EGFR (0.47) LRRK2SYK
SCHEMBL19527678 0.82 NPC1 (0.47) SYK
SCHEMBL15769941 0.78 PRKCQ (0.41) LRRK2SYKAURKA
SCHEMBL20752249 0.77 AURKA (0.54) LRRK2SYKAURKA
SCHEMBL20752184 0.75 SYK (0.55) LRRK2SYKAURKA
SCHEMBL15769550 0.73 EGFR (0.40) SYK
SCHEMBL18995066 0.73 EGFR (0.49) SYK
SCHEMBL20752228 0.72 LRRK2 (0.44) LRRK2SYK
SCHEMBL15321430 0.71 ALK (0.39) AURKA
SCHEMBL19527785 0.71 NPC1 (0.47) SYK

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-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 — — EP disclosed
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