SCHEMBL10695258

SCHEMBL10695258

CC(C)(CN)c1ccc2nc(-c3c[nH]cn3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 0.48
▸ CBFB Q13951 2/20 0.43
▸ NPBWR1 P48145 5/20 0.41
▸ SCN10A Q9Y5Y9 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ INSR P06213 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
SCHEMBL10695250 0.90 METAP2 (0.38) METAP2CBFBNPBWR1TRPV1KMT2A
SCHEMBL10575761 0.82 METAP2 (0.43) METAP2CBFBNPBWR1KCNH2TRPV1
SCHEMBL10575178 0.81 METAP2 (0.42) METAP2CBFBSCN10AGAAMEN1
SCHEMBL10580080 0.81 METAP2 (0.75) METAP2CBFBGAAKMT2AMAPT
SCHEMBL10576089 0.77 NPBWR1 (0.64) METAP2NPBWR1KCNH2TRPV1CHEK2
SCHEMBL10573947 0.76 NPC1 (0.58) NPBWR1KCNH2TRPV1PKN2GAA
SCHEMBL10577479 0.76 NPBWR1 (0.67) NPBWR1KCNH2TRPV1CHEK2SCD
SCHEMBL10579334 0.75 DGAT1 (0.64) NPBWR1KCNH2TRPV1CHEK1PAK4
SCHEMBL10573938 0.74 MAPT (0.59) NPBWR1SCN10AKCNH2GAAMEN1
SCHEMBL10575692 0.74 NPBWR1 (0.49) NPBWR1KCNH2TRPV1SCDKDM4E

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
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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