SCHEMBL10124899

SCHEMBL10124899

CCc1cccc(-c2ccnc3[nH]ccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.58
JAK2 O60674 2/20 0.57
PRKACA P17612 2/20 0.57
JAK3 P52333 2/20 0.57
PRKCQ Q04759 2/20 0.57
ROCK1 Q13464 2/20 0.57
ROCK2 O75116 1/20 0.57
PRKCA P17252 1/20 0.57
FLT3 P36888 1/20 0.57
GSK3B P49841 1/20 0.57
PRKCD Q05655 1/20 0.57
CCNK O75909 4/20 0.52
CDK12 Q9NYV4 4/20 0.52
NUDT1 P36639 5/20 0.50
AURKB Q96GD4 3/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL12127819 0.81 PRKCI (0.63) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL12347990 0.81 PRKCI (0.56) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL1718082 0.80 PRKCI (0.55) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL1719341 0.78 PRKCI (0.63) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL1718593 0.78 PRKCI (0.63) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL27893877 0.78 PRKCI (0.52) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL4792616 0.78 PRKCI (0.58) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL1717896 0.78 PRKCI (0.58) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL12346290 0.77 PRKCI (0.51) PRKCIJAK2PRKACAJAK3PRKCQ
SCHEMBL1718292 0.76 JAK2 (0.72) PRKCIJAK2PRKACAJAK3PRKCQ

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-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed