SCHEMBL20752249

SCHEMBL20752249

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
SYK P43405 2/20 0.54
LRRK2 Q5S007 9/20 0.47
CCNT1 O60563 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK9 P50750 2/20 0.47
CCNA1 P78396 2/20 0.47
KDR P35968 3/20 0.46
CDK1 P06493 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL20752236 0.89 SYK (0.54) AURKASYKLRRK2CDK1
SCHEMBL20752170 0.89 LRRK2 (0.56) AURKASYKLRRK2CCNA2CDK2
SCHEMBL20752317 0.87 LRRK2 (0.54) SYKLRRK2
SCHEMBL20752221 0.87 SYK (0.44) AURKASYKLRRK2CCNT1CCNA2
SCHEMBL20752164 0.86 LRRK2 (0.67) LRRK2CYP1A2
SCHEMBL20752184 0.82 SYK (0.55) AURKASYKLRRK2CCNT1CCNA2
SCHEMBL20752089 0.80 SYK (0.43) AURKASYKLRRK2CCNT1CCNA2
SCHEMBL20752171 0.79 AURKA (0.48) AURKASYKCDK2KDRCYP1A2
SCHEMBL12224497 0.79 SLC2A1 (0.67) AURKASYKLRRK2CDK2KDR
SCHEMBL4766530 0.77 AURKA (0.55) AURKASYKLRRK2CCNT1CCNA2

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