SCHEMBL23106908

SCHEMBL23106908

CC(C)c1cccc(CC2CN(C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CHRNA7 P36544 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
SCD5 Q86SK9 1/20 0.30
ADORA2A P29274 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
SCHEMBL17896354 0.87 KCNH2 (0.39)
SCHEMBL20281655 0.75 HRH4 (0.39) CCNT1CDK9
SCHEMBL10150982 0.74 CHRNA7 (0.35) CHRNA7ADORA2A
SCHEMBL23106870 0.72 CHRNA7 (0.42) CCNT1CDK9CHRNA7
SCHEMBL10121258 0.72 CHRNA7 (0.34) CHRNA7ADORA2A
SCHEMBL15980623 0.72 CXCR4 (0.46)
SCHEMBL19069547 0.72 CCNT1 (0.32) CCNT1CDK9
SCHEMBL17896808 0.72 HTR3E (0.41)
SCHEMBL1581851 0.70 KCNH2 (0.36) CHRNA7ADORA2A
SCHEMBL31481285 0.70 KCNH2 (0.36) CHRNA7ADORA2A

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-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed