SCHEMBL19560852

SCHEMBL19560852

Cc1nc2c(C(F)(F)F)cc(Cl)c(C)n2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 14/20 0.52
▸ CRHR1 P34998 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL15550558 0.84 PDE10A (0.50) PDE10AHTTHSD11B1
SCHEMBL15690117 0.74 PDE10A (0.41) PDE10AHTT
SCHEMBL20088561 0.74 PDE10A (0.38) PDE10ACRHR1HTTCDK4CCND1
SCHEMBL12245890 0.71 PDE10A (0.38) PDE10ACRHR1CDK4CCND1HAVCR2
SCHEMBL462808 0.71 PDE10A (0.38) PDE10ACRHR1CDK4CCND1HAVCR2
SCHEMBL15538187 0.70 PDE10A (1.00) PDE10A
SCHEMBL24393151 0.68 HTT (0.38) PDE10ACRHR1HTTCDK4CCND1
SCHEMBL10285829 0.67 HAVCR2 (0.60) HAVCR2
SCHEMBL462807 0.67 HAVCR2 (0.60) HAVCR2
SCHEMBL462817 0.67 PDE10A (0.38) PDE10ACRHR1HTTHAVCR2

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-2855455-B1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS HOFFMANN LA ROCHE (CH) 2017-11-08 — — EP disclosed
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