SCHEMBL20606873

SCHEMBL20606873

CCOc1nc(C)cc(N)c1C#N

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.59
MAPK9 P45984 14/20 0.59
MAPK10 P53779 3/20 0.59
PRKD3 O94806 2/20 0.59
PRKD2 Q9BZL6 2/20 0.59
MAP4K4 O95819 1/20 0.59
MAP4K2 Q12851 1/20 0.59
PKN2 Q16513 1/20 0.59
STK17A Q9UEE5 1/20 0.59
RPS27 P42677 5/20 0.58
CSF1R P07333 1/20 0.49
MAPK1 P28482 1/20 0.49
AKT1 P31749 1/20 0.49
CSNK2A1 P68400 1/20 0.49
NTRK2 Q16620 1/20 0.49
PLK3 Q9H4B4 1/20 0.49

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
SCHEMBL1145009 0.85 MAPK8 (0.60) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL9820174 0.83 ALDH1A1 (0.57) MAPK1
SCHEMBL1145693 0.83 MAPK8 (0.61) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL20920951 0.81 MAPK8 (0.56) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL18556082 0.81 POLB (0.48) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL13514366 0.80 MAPK8 (0.55) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1146017 0.78 MAPK8 (0.74) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL1145329 0.78 MAPK8 (0.74) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL20606816 0.78 POLB (0.40) MAPK8MAPK9MAPK10PRKD3PRKD2
SCHEMBL3064069 0.77 MAPK8 (0.49) MAPK8MAPK9MAPK10PRKD3PRKD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed
EP-3423445-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS Galapagos NV (BE) 2019-01-09 EP disclosed