SCHEMBL28650970

SCHEMBL28650970

Cc1cccc(-n2ccc3cccnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
CDK2 P24941 1/20 0.47
PTK2 Q05397 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.40
SLC40A1 Q9NP59 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
SCHEMBL2294384 0.89 CDC7 (0.53) CDC7CDK2RAPGEF4L3MBTL1HPGD
SCHEMBL16863761 0.87 RAPGEF4 (0.50) CDC7CDK2RAPGEF4L3MBTL1ALDH1A1
SCHEMBL28537449 0.82 L3MBTL1 (0.54) CDC7CDK2PTK2RAPGEF4L3MBTL1
SCHEMBL2295440 0.81 CDC7 (0.56) CDC7CDK2RAPGEF4L3MBTL1SLC22A12
SCHEMBL28545337 0.81 HPGD (0.52) CDC7CDK2ALDH1A1HPGDXDH
SCHEMBL31070284 0.81 HPGD (0.52) CDC7CDK2ALDH1A1HPGDXDH
SCHEMBL27144742 0.81 CDC7 (0.54) CDC7CDK2RAPGEF4ATMALDH1A1
SCHEMBL30866643 0.81 CDC7 (0.54) CDC7CDK2RAPGEF4ATMALDH1A1
SCHEMBL30828406 0.80 CDC7 (0.54) CDC7CDK2L3MBTL1ALDH1A1SLC22A12
SCHEMBL1150333 0.80 CDC7 (0.54) CDC7CDK2L3MBTL1ALDH1A1SLC22A12

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-113461681-B Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2024-03-15 CN claimed
CN-113461681-A Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2021-10-01 CN claimed
CN-113461681-B Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2024-03-15 CN disclosed
CN-113461681-A Iridium-catalyzed N-phenyl-7 azaindole derivative and preparation method thereof 陕西科技大学 2021-10-01 CN disclosed