SCHEMBL16977211

SCHEMBL16977211

CNC(=O)c1c(N[C@H]2CCCC[C@H]2N)cn(CC2CCCCC2)c1Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.38
▸ IRAK4 Q9NWZ3 4/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ FER P16591 1/20 0.35

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
SCHEMBL16977244 0.90 SYK (0.41) SYKEPHX2JAK3FER
SCHEMBL13333460 0.81 SYK (0.43) SYKBRD4
SCHEMBL16977239 0.79 SYK (0.46) SYKIRAK4
SCHEMBL16977212 0.79 PDE4A (0.42) SYKIRAK4JAK3
SCHEMBL16977189 0.73 CHRM3 (0.34) —
SCHEMBL16977188 0.69 SYK (0.52) SYK
SCHEMBL16977215 0.69 SYK (0.43) SYK
SCHEMBL16977225 0.64 JAK2 (0.35) JAK3
SCHEMBL4065551 0.63 ALDH1A1 (0.51) SYKCDC7PIM1GSK3BFER
SCHEMBL7020150 0.63 ALDH1A1 (0.51) SYKCDC7PIM1GSK3BFER

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
EP-2358204-B1 4,5,7,8-tetrahydro-4-oxo-2H-imidazo[1,2-a]pyrrolo[3,4-e]pyrimidine compounds as PDE1 inhibitors. INTRA CELLULAR THERAPIES INC (US) 2015-08-05 — — EP disclosed
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