SCHEMBL20161409

SCHEMBL20161409

CCC1CN(C)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CXCR4 P61073 1/20 0.33

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
SCHEMBL24467275 1.00 ROCK2 (0.34) ROCK2ROCK1CXCR4
SCHEMBL16455039 0.87
SCHEMBL14111108 0.87
SCHEMBL90066 0.87
Hydrochloric Acid SCHEMBL25346774 0.85 KAT6A (0.31)
Hydrochloric Acid SCHEMBL25346768 0.85 KAT6A (0.31)
SCHEMBL2914772 0.82 NCF1 (0.39) CXCR4
SCHEMBL2910055 0.82 CXCR4 (0.35) CXCR4
SCHEMBL2920006 0.80 CXCR4 (0.31) CXCR4
SCHEMBL2919967 0.79 CHRNB4 (0.31) CXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196278-A1 ITK INHIBITORS FOR INCREASING TH1 CELL ACTIVITY CORVUS PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed