SCHEMBL2722157

SCHEMBL2722157

CC(C)(C)[S+]([O-])NCCc1cnc2c(Cl)cc(F)cc2c1-c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.33
P2RX7 Q99572 1/20 0.32
TNF P01375 1/20 0.32
CBFB Q13951 2/20 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
SCHEMBL2720785 0.79 CBFB (0.37) MAPK14CBFB
SCHEMBL2722154 0.78 TNF (0.38) MAPK14TNFCBFB
SCHEMBL2719784 0.73 CBFB (0.36) MAPK14CBFB
SCHEMBL2721186 0.72 RXFP1 (0.32) CBFB
SCHEMBL2721188 0.72 RXFP1 (0.32) CBFB
SCHEMBL2720154 0.71 PIK3CD (0.48)
SCHEMBL2718747 0.71 FFAR1 (0.36)
SCHEMBL2720782 0.69 CCR1 (0.38) MAPK14TNFCBFB
SCHEMBL2718326 0.69 PIK3CD (0.33) TNF
SCHEMBL2721580 0.68 PIK3CD (0.33)

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
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed