SCHEMBL3431233

SCHEMBL3431233

CS(=O)(=O)c1c(-c2ccccc2)nc(N)nc1N1CC2CC1CN2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.52
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CSNK1E P49674 1/20 0.40

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
SCHEMBL3430563 0.83 HRH4 (0.54) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL3433540 0.83 HRH4 (0.44) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL15393065 0.76 HRH4 (0.48) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL3433510 0.72 HRH4 (0.52) HRH4CHRNB2CHRNA4
SCHEMBL3433512 0.72 CHRNB2 (0.51) HRH4CHRNB2CHRNA4CSNK1E
SCHEMBL603773 0.70 HRH4 (0.54) HRH4CHRNB2CHRNA4
SCHEMBL603774 0.70 HRH4 (0.54) HRH4CHRNB2CHRNA4
SCHEMBL12137910 0.69 HRH4 (0.48) HRH4CHRNB2CHRNA4
SCHEMBL606081 0.69 HRH4 (0.57) HRH4
SCHEMBL4509812 0.68 HRH4 (1.00) HRH4CHRNB2CHRNA4

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-2265607-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES Rigel Pharmaceuticals, Inc. (US) 2010-12-29 — — EP disclosed
WO-2009103032-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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