SCHEMBL6283839

SCHEMBL6283839

Cc1cc2[nH]c(-c3n[nH]cc3C(N)=O)nc2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.43
RHEB Q15382 1/20 0.40
AMY1A P0DUB6 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
HPSE Q9Y251 1/20 0.37
CHEK1 O14757 1/20 0.37
MAP3K8 P41279 1/20 0.36

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
SCHEMBL5953146 0.90 HPSE (0.45) CHEK2AMY1AHPSE
SCHEMBL7049004 0.86 CHEK2 (0.43) CHEK2AMY1AHPSECHEK1
SCHEMBL6284709 0.85 CHEK2 (0.38) CHEK2HPSECHEK1
SCHEMBL6283906 0.81 CHEK2 (0.40) CHEK2CHEK1
SCHEMBL5952131 0.81 AMY1A (0.41) CHEK2RHEBAMY1APTGDR2MAP3K8
SCHEMBL5952114 0.80 HPSE (0.41) CHEK2RHEBAMY1APTGDR2HPSE
SCHEMBL13374062 0.79 MAPT (0.43) RHEBAMY1APTGDR2HPSECHEK1
SCHEMBL5952676 0.79 HPSE (0.46) AMY1AHPSE
SCHEMBL5952046 0.77 NPBWR1 (0.46) AMY1APTGDR2MAP3K8
SCHEMBL13373910 0.75 JAK2 (0.45) RHEBHPSECHEK1

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
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed