SCHEMBL28609348

SCHEMBL28609348

Cc1csc(-n2ccc3ccc(N)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
MAPT P10636 1/20 0.35
ROCK1 Q13464 4/20 0.35
BRPF1 P55201 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
HTR6 P50406 1/20 0.32
MET P08581 1/20 0.32
CDC7 O00311 5/20 0.31
CDK2 P24941 5/20 0.31
MAP3K14 Q99558 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30
CYP2A6 P11509 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL31413331 0.76 PRKCI (0.42) PRKCIMAPTROCK1BRPF1CDC7
SCHEMBL21925193 0.76 PRKCI (0.42) PRKCIMAPTROCK1BRPF1CDC7
SCHEMBL21925197 0.68 MAPT (0.54) MAPTROCK1HTR6LMNA
SCHEMBL31413335 0.68 MAPT (0.54) MAPTROCK1HTR6LMNA
SCHEMBL15712770 0.67 SMN1; SMN2 (0.55) PRKCIMAPTHTR6CDC7CDK2
SCHEMBL4949297 0.67 PRKCI (0.45) PRKCIMAPTBRPF1HTR6KDM4E
SCHEMBL29507010 0.65 PRKCI (0.70) PRKCIMAPTBRPF1HTR6KDM4E
SCHEMBL398452 0.65 PRKCI (0.70) PRKCIMAPTBRPF1HTR6KDM4E
SCHEMBL5718697 0.65 PRKCI (0.70) PRKCIMAPTBRPF1HTR6KDM4E
SCHEMBL4949216 0.65 PRKCI (0.44) PRKCIMAPTROCK1BRPF1HTR6

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-113286581-A Intraocular or oral administration of pharmaceutical compositions for the treatment of retinal diseases 扶桑药品工业株式会社 2021-08-20 CN claimed
CN-113271932-A Pharmaceutical composition for treating cerebrovascular diseases and dementia 扶桑药品工业株式会社 2021-08-17 CN claimed
CN-113286581-A Intraocular or oral administration of pharmaceutical compositions for the treatment of retinal diseases 扶桑药品工业株式会社 2021-08-20 CN disclosed
CN-113271932-A Pharmaceutical composition for treating cerebrovascular diseases and dementia 扶桑药品工业株式会社 2021-08-17 CN disclosed