SCHEMBL30123178

SCHEMBL30123178

Cc1ccnc(C#Cc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.61
CSNK1D P48730 2/20 0.53
CSNK1E P49674 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
BRAF P15056 10/20 0.51
MAPK3 P27361 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL15733468 1.00 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15043350 0.86 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15735061 0.84 PDE10A (0.64) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL30123648 0.84 PDE10A (0.64) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733493 0.80 PDE10A (0.68) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15043339 0.80 PDE10A (0.78) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733023 0.80 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL30123641 0.80 PDE10A (0.78) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15745979 0.79 PDE10A (0.66) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733219 0.79 CSNK1D (0.65) PDE10ACSNK1DCSNK1EMAPK13MAPK12

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
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed