SCHEMBL27497712

SCHEMBL27497712

CN(C)c1cccc(C(=O)Nc2ccc(CN)c(NC(=O)c3ccccc3O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.55
BRAF P15056 2/20 0.55
ALOX15 P16050 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAF1 P04049 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
MAPK11 Q15759 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KLKB1 P03952 1/20 0.52
SMO Q99835 2/20 0.48
CSF1R P07333 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL27498393 0.89 MAPK14 (0.55) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27515239 0.88 MAPK14 (0.62) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27483416 0.87 MAPK14 (0.73) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL6477729 0.85 MAPK14 (0.74) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27497052 0.85 MAPK14 (0.56) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27498043 0.84 MAPK14 (0.60) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27481232 0.84 MEN1 (0.58) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27526698 0.81 MAPK14 (0.52) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27527556 0.81 MAPK14 (0.75) MAPK14BRAFALOX15KDM4EALDH1A1
SCHEMBL27481231 0.81 MEN1 (0.56) MAPK14BRAFALOX15KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109906224-A TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF 诺华股份有限公司 2019-06-18 CN disclosed
CN-109790166-A imidazopyridine compounds for the treatment of cancer 诺华股份有限公司 2019-05-21 CN disclosed
CN-1185211-C Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2005-01-19 CN disclosed