SCHEMBL18155086

SCHEMBL18155086

CN1CCCN(c2ccc3[nH]c(-c4cc(-c5ccnc6[nH]ccc56)c[nH]c4=O)nc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ALK Q9UM73 6/20 0.43
FGFR1 P11362 5/20 0.43
PDGFRB P09619 3/20 0.43
KDR P35968 3/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
RHEB Q15382 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
SYK P43405 1/20 0.41
RPS6KA3 P51812 2/20 0.41
MET P08581 1/20 0.40
TGFB2 P61812 1/20 0.40
FLT1 P17948 2/20 0.40

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
SCHEMBL18164058 0.97 BMPR1B (0.45) ROCK2ROCK1ALKFGFR1PDGFRB
SCHEMBL18155031 0.92 RHEB (0.46) ROCK2ROCK1RHEBSYKTGFB2
SCHEMBL18155103 0.90 SYK (0.51) FGFR1PDGFRBKDRSYKMET
SCHEMBL18155028 0.88 TGFB2 (0.49) ROCK2ROCK1RHEBSYKTGFB2
SCHEMBL18155078 0.88 TGFB2 (0.52) ROCK2ROCK1RHEBTGFB2
SCHEMBL18155104 0.87 RHEB (0.45) FGFR1PDGFRBKDRRHEBRPS6KA3
SCHEMBL18155039 0.86 RHEB (0.44) ROCK2ROCK1RHEBTGFB2
SCHEMBL18155091 0.84 FGFR1 (0.50) ALKFGFR1PDGFRBKDRACVR1
SCHEMBL20048377 0.84 RHEB (0.42) ROCK2ACVR1RHEBSYKMET
SCHEMBL18163899 0.82 RHEB (0.43) ROCK2ROCK1ALKFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283475-B1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-16 EP claimed
EP-3283475-B1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-3283475-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-02-21 EP disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 WO disclosed