SCHEMBL30343743

SCHEMBL30343743

CNc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.56
▸ PKN1 Q16512 1/20 0.52
▸ PKN2 Q16513 1/20 0.52
▸ APP P05067 1/20 0.51
▸ CHEK2 O96017 2/20 0.49
▸ DGAT1 O75907 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CSNK1A1 P48729 5/20 0.44
▸ CSNK1D P48730 5/20 0.44
▸ CSNK1G2 P78368 5/20 0.44
▸ GSK3B P49841 4/20 0.44
▸ HPSE Q9Y251 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL20001680 1.00 RHEB (0.56) RHEBPKN1PKN2APPCHEK2
SCHEMBL1842216 0.85 PKN1 (0.59) RHEBPKN1PKN2CHEK2DGAT1
SCHEMBL418300 0.84 HPSE (0.50) HPSEKDM4EMEN1ALDH1A1MAPT
SCHEMBL14683901 0.84 HPSE (0.50) HPSEKDM4EMEN1ALDH1A1MAPT
SCHEMBL3333407 0.82 RHEB (0.68) RHEBPKN1PKN2APPCHEK2
SCHEMBL8412123 0.82 RHEB (0.59) RHEBPKN1PKN2CHEK2DGAT1
SCHEMBL19994470 0.82 RHEB (0.59) RHEBPKN1PKN2APPCHEK2
SCHEMBL1842081 0.82 RHEB (0.59) RHEBPKN1PKN2CHEK2DGAT1
SCHEMBL28267390 0.81 CHEK2 (0.61) RHEBPKN1PKN2CHEK2DGAT1
SCHEMBL21705379 0.81 HDAC6 (0.59) RHEBPKN1PKN2CHEK2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515904-B1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2024-01-17 — — EP disclosed
CN-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 — — CN disclosed
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