SCHEMBL20752170

SCHEMBL20752170

CNc1nc(Nc2ccc(C)c(C#N)c2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.56
JAK2 O60674 2/20 0.56
STK17A Q9UEE5 3/20 0.50
STK17B O94768 2/20 0.50
SYK P43405 1/20 0.45
AURKA O14965 2/20 0.45
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNK O75909 1/20 0.43
CDK9 P50750 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 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
SCHEMBL20752249 0.89 AURKA (0.54) LRRK2SYKAURKACCNA2CDK2
SCHEMBL20752236 0.85 SYK (0.54) LRRK2SYKAURKA
SCHEMBL20752221 0.83 SYK (0.44) LRRK2STK17ASYKAURKACCNA2
SCHEMBL20752317 0.83 LRRK2 (0.54) LRRK2SYKEGFRERBB2
SCHEMBL20752204 0.83 LRRK2 (0.51) LRRK2JAK2SYKAURKA
SCHEMBL20752164 0.82 LRRK2 (0.67) LRRK2
SCHEMBL20752146 0.79 LRRK2 (0.65) LRRK2JAK2SYKCDK2
SCHEMBL3495670 0.79 JAK1 (0.44) JAK2STK17ASTK17BAURKA
SCHEMBL21658531 0.77 LRRK2 (0.75) LRRK2JAK2STK17ASTK17BAURKA
SCHEMBL20752171 0.76 AURKA (0.48) SYKAURKACDK2EGFR

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