SCHEMBL5279031

SCHEMBL5279031

NCc1c(C(N)=O)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.57
FOLH1 Q04609 1/20 0.54
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTR6 P50406 1/20 0.50
EGFR P00533 2/20 0.49
SRC P12931 1/20 0.49
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MCL1 Q07820 1/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5495499 0.87 HTR6 (0.66) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL2002751 0.86 FOLH1 (0.71) FOLH1KDM4EALDH1A1MCL1HPGD
SCHEMBL28746390 0.85 MCL1 (0.57) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL4262908 0.83 KDM4E (0.62) MAP2FOLH1KDM4EALDH1A1EGFR
SCHEMBL7745979 0.82 KDM4E (0.57) MAP2FOLH1KDM4EALDH1A1EGFR
SCHEMBL631701 0.82 MAP2 (0.53) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL2983431 0.81 MAP2 (0.51) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL9266502 0.80 MAP2 (0.50) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL4033965 0.80 MAP2 (0.50) MAP2FOLH1KDM4EALDH1A1HTR6
SCHEMBL6430294 0.79 ALDH1A1 (0.57) MAP2FOLH1KDM4EALDH1A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101006055-B 3-substituted-5-and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC 2011-06-22 CN disclosed
CN-101006055-A 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase iepsilon AVENTIS PHARMA INC (US) 2007-07-25 CN disclosed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO disclosed