SCHEMBL20752178

SCHEMBL20752178

COc1cnc(Nc2cccc(C#N)c2)nc1NC[C@@H]1CCCN2CCCCC12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.44
SYK P43405 3/20 0.44
PRKCQ Q04759 3/20 0.41
IGF1R P08069 1/20 0.41
MAOB P27338 1/20 0.40
GRM5 P41594 1/20 0.40
PTK2 Q05397 1/20 0.40
CDK1 P06493 2/20 0.39
KDR P35968 1/20 0.39
EGFR P00533 2/20 0.39
ZAP70 P43403 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
PRKDC P78527 1/20 0.38
ERBB2 P04626 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL15770254 1.00 ABCG2 (0.44) ABCG2SYKPRKCQIGF1RMAOB
SCHEMBL15769703 0.89 JAK3 (0.47) SYKPRKCQIGF1RMAOBGRM5
SCHEMBL15770163 0.87 SYK (0.46) SYKPRKCQIGF1RMAOBGRM5
SCHEMBL15769283 0.87 SYK (0.58) SYKPRKCQIGF1RMAOBGRM5
SCHEMBL15769451 0.87 SYK (0.44) SYKPRKCQIGF1RMAOBGRM5
SCHEMBL15769896 0.86 CDK1 (0.41) PRKCQCDK1KDREGFRLRRK2
SCHEMBL15769152 0.86 PKMYT1 (0.42) PRKCQCDK1KDREGFRLRRK2
SCHEMBL15769386 0.85 CHEK1 (0.50) SYKPRKCQPTK2
SCHEMBL15769621 0.83 PRKCQ (0.45) PRKCQIGF1R
SCHEMBL15769442 0.81 EPHB4 (0.44) SYKIGF1RMAOBGRM5PRKDC

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