SCHEMBL16977244

SCHEMBL16977244

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.41
▸ ZAP70 P43403 2/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ FER P16591 1/20 0.38

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
SCHEMBL16977211 0.90 SYK (0.38) SYKJAK3EPHX2FER
SCHEMBL16977188 0.78 SYK (0.52) SYKZAP70
SCHEMBL16977215 0.78 SYK (0.43) SYK
SCHEMBL13333460 0.70 SYK (0.43) SYKZAP70
SCHEMBL16977239 0.69 SYK (0.46) SYKZAP70
SCHEMBL16977212 0.69 PDE4A (0.42) SYKJAK3
SCHEMBL18197847 0.67 SYK (0.76) SYKJAK3FER
SCHEMBL15096267 0.65 SYK (0.75) SYKJAK3FER
SCHEMBL4065551 0.64 ALDH1A1 (0.51) SYKFER
SCHEMBL7020150 0.64 ALDH1A1 (0.51) SYKFER

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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