SCHEMBL28537449

SCHEMBL28537449

Cc1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
CDC7 O00311 1/20 0.50
CDK2 P24941 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ENPP3 O14638 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.44
BRAF P15056 1/20 0.44
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SLC22A12 Q96S37 3/20 0.40
PTK2 Q05397 1/20 0.40
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.38
KAT2B Q92831 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
SCHEMBL2295195 0.86 CDC7 (0.53) L3MBTL1CDC7CDK2CYP2C19RAPGEF4
SCHEMBL16863761 0.85 RAPGEF4 (0.50) L3MBTL1CDC7CDK2CYP2C19CYP1A2
SCHEMBL1150333 0.84 CDC7 (0.54) L3MBTL1CDC7CDK2CYP2C19BRAF
SCHEMBL30828406 0.84 CDC7 (0.54) L3MBTL1CDC7CDK2CYP2C19BRAF
SCHEMBL7892111 0.83 CDC7 (0.50) CDC7CDK2CYP2C19HPGDBRAF
SCHEMBL20603929 0.83 CDC7 (0.58) L3MBTL1CDC7CDK2CYP2C19AKT1
SCHEMBL28547121 0.83 CDC7 (0.50) L3MBTL1CDC7CDK2CYP2C19CYP1A2
SCHEMBL27839782 0.83 BIRC5 (0.54) CDC7CDK2CYP2C19HPGDENPP3
SCHEMBL28545830 0.82 BRAF (0.47) CDC7CDK2BRAFALDH1A1SLC22A12
SCHEMBL20627651 0.82 CDC7 (0.47) L3MBTL1CDC7CDK2CYP2C19ENPP3

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
CN-112480111-A Synthesis method of 7-azaindole substituted aryl acetate compound 江苏理工学院 2021-03-12 CN disclosed