SCHEMBL12821922

SCHEMBL12821922

O=C(O)c1ccc2ncn(-c3ccc(OC4CCCNC4)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.54
▸ CHEK2 O96017 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 4/20 0.41
▸ ROCK1 Q13464 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ RCOR1 Q9UKL0 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
SCHEMBL12822215 0.88 FGFR1 (0.58) FGFR1CHEK2ALDH1A1MAPTTP53
SCHEMBL12822123 0.74 FGFR1 (0.78) FGFR1ALDH1A1HPGDTHRBMAPK1
SCHEMBL5641389 0.72 CHEK2 (0.71) CHEK2ALDH1A1HPGD
SCHEMBL12822160 0.72 FGFR1 (0.62) FGFR1CHEK2ALDH1A1HPGDTHRB
SCHEMBL3844513 0.71 FGFR1 (0.76) FGFR1MAPTTP53HPGDTHRB
Hydrochloric Acid SCHEMBL7986276 0.71 FGFR1 (0.97) FGFR1ALDH1A1HPGDMAPK1HTT
SCHEMBL3340487 0.70 MAPK14 (0.48) ROCK1
SCHEMBL20165033 0.70 ALDH1A1 (0.57) ALDH1A1ROCK1
SCHEMBL20165032 0.70 ALDH1A1 (0.57) ALDH1A1ROCK1
SCHEMBL12817507 0.70 FGFR1 (0.84) FGFR1HPGDTHRB

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
WO-2012131501-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AS COT KINASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-10-04 — — WO claimed
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