SCHEMBL29329117

SCHEMBL29329117

N#Cc1cc(OCC2CCCCC2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
CCNB2 O95067 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SYK P43405 3/20 0.37
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
CDK5 Q00535 1/20 0.36
PRKCQ Q04759 5/20 0.36
PARP15 Q460N3 1/20 0.35

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
SCHEMBL29330247 0.92 NFE2L2 (0.38) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL29328808 0.90 PRKCQ (0.41) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29329943 0.90 SYK (0.37) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29329640 0.89 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29329211 0.89 SYK (0.36) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29328882 0.89 SCN9A (0.36) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29329004 0.87 PRKCQ (0.38) SYKPRKCQESR1PRKCD
SCHEMBL29329002 0.87 SYK (0.38) CDK1SYKPRKCQESR1
SCHEMBL29329212 0.85 LRRK2 (0.36) SLC6A2SLC6A4SLC6A3SYKHTR3A
SCHEMBL29331087 0.83 PRKCQ (0.36) CDK1SYKPRKCQESR1

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
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed