SCHEMBL7472749

SCHEMBL7472749

c1c[nH]c(-n2cnc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ POLB P06746 1/20 0.50
▸ FGFR1 P11362 3/20 0.49
▸ PIK3CB P42338 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2053005 0.79 FGFR1 (0.59) FGFR1
SCHEMBL9769510 0.79 FGFR1 (0.44) HTTFGFR1
SCHEMBL1803928 0.75 HTT (0.55) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL31049319 0.74 HTT (0.53) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL30402227 0.72 HTT (0.88) HTTPOLBFGFR1
SCHEMBL3419279 0.72 HTT (0.88) HTTPOLBFGFR1
SCHEMBL3417306 0.72 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL24988386 0.72 HTT (0.60) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL28580330 0.71 MKNK2 (0.46) FGFR1MKNK2
SCHEMBL9025863 0.71 PIK3CB (0.68) HTTPOLBFGFR1PIK3CBROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11189594-A — — None — — JP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 — — EP disclosed
JP-H11189594-A PYRROYLBENZIMIDAZOLE DERIVATIVE HAVING ACRYLIC ACID DERIVATIVE GROUP ON SIDE CHAIN MITSUI CHEM INC 1999-07-13 — — JP disclosed
EP-0776891-B1 Pyrrolylbenzimidazole derivatives MITSUI CHEMICALS INC (JP) 1999-02-10 — — EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 — — US disclosed
US-5808087-A ANTITUMOR, ANTICANCER AGENTS MITSUI CHEMICALS, INC. (JP) 1998-09-15 — — US disclosed
EP-0776891-A1 Pyrrolylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-06-04 — — EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 — — EP disclosed
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