SCHEMBL19646337

SCHEMBL19646337

CCCC(C)(C)c1cccc(C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.36
CTSK P43235 5/20 0.36
BRS3 P32247 1/20 0.34
SOS2 Q07890 1/20 0.33
GABRA5 P31644 1/20 0.33
EGLN2 Q96KS0 1/20 0.31
SRC P12931 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL19309204 0.86 BRS3 (0.40) CTSSCTSKBRS3SOS2GABRA5
SCHEMBL24608472 0.81 SOS2 (0.38) CTSSCTSKBRS3SOS2GABRA5
SCHEMBL18649327 0.79 SOS2 (0.33) CTSSSOS2
SCHEMBL2960222 0.78 CTSK (0.41) CTSSCTSKBRS3SOS2EGLN2
SCHEMBL14407566 0.77 HMGCR (0.35)
SCHEMBL18896469 0.77 HMGCR (0.40)
SCHEMBL1111352 0.75 CTSK (0.39) CTSSCTSKBRS3SOS2EGLN2
SCHEMBL19503987 0.75 CCR1 (0.40)
SCHEMBL24794162 0.75 CTSS (0.49) CTSSCTSKSOS2SRCIRAK4
SCHEMBL19091157 0.74 BRS3 (0.30) CTSSBRS3

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
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed