SCHEMBL18155053

SCHEMBL18155053

O=c1[nH]cc(-c2ccc(CO)c(F)c2)cc1-c1nc2cc(N3CCNCC3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFB2 P61812 1/20 0.64
PARP1 P09874 1/20 0.40
RPS6KA3 P51812 1/20 0.38
MET P08581 1/20 0.37
PIM1 P11309 6/20 0.37
PIM3 Q86V86 6/20 0.37
PIM2 Q9P1W9 3/20 0.36
FGFR1 P11362 2/20 0.35
ACVR1 Q04771 2/20 0.35
KCNH2 Q12809 1/20 0.35
ATR Q13535 1/20 0.34
CDC7 O00311 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
CHEK2 O96017 1/20 0.33
TGFBR1 P36897 1/20 0.33
BRD4 O60885 1/20 0.33
MMP13 P45452 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL18155112 0.94 TGFB2 (0.58) TGFB2PARP1RPS6KA3METPIM1
SCHEMBL18155060 0.93 TGFB2 (0.64) TGFB2PARP1RPS6KA3METPIM1
SCHEMBL18155087 0.90 TGFB2 (0.61) TGFB2PARP1RPS6KA3METPIM1
SCHEMBL18155083 0.90 TGFB2 (0.64) TGFB2PARP1RPS6KA3METPIM1
SCHEMBL18155032 0.87 TGFB2 (0.72) TGFB2PARP1METPIM1PIM3
SCHEMBL18155059 0.86 TGFB2 (0.63) TGFB2PARP1RPS6KA3METPIM1
SCHEMBL18155029 0.85 TGFB2 (0.87) TGFB2PARP1PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL18155058 0.84 TGFB2 (0.85) TGFB2PARP1PIM1PIM3PIM2
SCHEMBL18155117 0.84 TGFB2 (0.53) TGFB2PARP1RPS6KA3METPIM2
SCHEMBL18155108 0.82 TGFB2 (0.81) TGFB2PARP1PIM1PIM3PIM2

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