SCHEMBL6411414

SCHEMBL6411414

Cc1cnc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C[C@@H]3C)cnn2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 18/20 0.46
▸ PDE10A Q9Y233 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SPR P35270 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
SCHEMBL309128 0.91 PDE2A (0.40) PDE2AALDH1A1SPR
SCHEMBL310170 0.91 HTT (0.39) PDE2AALDH1A1SPR
SCHEMBL6416356 0.91 HDAC3 (0.39) PDE2AALDH1A1SPR
SCHEMBL309774 0.91 HDAC3 (0.41) PDE2APDE10AALDH1A1SPR
SCHEMBL310204 0.88 CCR6 (0.46) ALDH1A1SPR
SCHEMBL3770851 0.86 SPR (0.43) ALDH1A1SPR
SCHEMBL309552 0.86 SPR (0.43) ALDH1A1SPR
SCHEMBL309343 0.86 SPR (0.43) ALDH1A1SPR
SCHEMBL309075 0.86 SPR (0.53) PDE2APDE10AALDH1A1SPR
SCHEMBL10042205 0.85 TSHR (0.43) ALDH1A1

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-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 — — EP disclosed
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