SCHEMBL28545337

SCHEMBL28545337

Clc1cccc(-n2ccc3cccnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
PKM P14618 1/20 0.47
CDC7 O00311 1/20 0.47
CDK2 P24941 1/20 0.47
ROCK2 O75116 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
FGFR1 P11362 1/20 0.44
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
SLC22A12 Q96S37 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PARP1 P09874 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL31070284 1.00 HPGD (0.52) HPGDMEN1CYP1A2MAPTCYP2C19
SCHEMBL2294384 0.89 CDC7 (0.53) HPGDMEN1CYP1A2MAPTCYP2C19
SCHEMBL27839782 0.82 BIRC5 (0.54) HPGDMAPTCYP2C19PKMCDC7
SCHEMBL2295440 0.81 CDC7 (0.56) CYP2C19PKMCDC7CDK2SLC22A12
SCHEMBL28650970 0.81 CDC7 (0.47) HPGDCDC7CDK2SLC22A12PARP1
SCHEMBL27144742 0.81 CDC7 (0.54) MEN1MAPTCYP2C19KMT2ACDC7
SCHEMBL30866643 0.81 CDC7 (0.54) MEN1MAPTCYP2C19KMT2ACDC7
SCHEMBL30828406 0.80 CDC7 (0.54) CYP2C19PKMCDC7CDK2SLC22A12
SCHEMBL1150333 0.80 CDC7 (0.54) CYP2C19PKMCDC7CDK2SLC22A12
SCHEMBL13204200 0.78 MKNK2 (0.52) CYP1A2MAPTCYP2C19CDC7CDK2

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