SCHEMBL27907019

SCHEMBL27907019

Cn1cc(-c2ccncc2)c(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.56
MAPK13 O15264 1/20 0.56
CSNK1D P48730 1/20 0.56
CSNK1E P49674 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
BRAF P15056 8/20 0.51
PDE10A Q9Y233 5/20 0.48
MAPK3 P27361 2/20 0.48
MAPK1 P28482 2/20 0.48
LGALS3 P17931 1/20 0.47
PDE4D Q08499 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
TGFBR1 P36897 2/20 0.45

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
SCHEMBL8489264 0.85 CSNK1D (0.61) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL5258671 0.81 MAPK13 (0.71) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL29912055 0.80 JMJD6 (0.44) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15022322 0.78 CSNK1D (0.52) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL27540656 0.78 MAPK13 (0.59) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL29911729 0.78 IRAK4 (0.47) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL25263176 0.77 MAPK13 (0.66) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15022080 0.75 PDE10A (0.49) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15735061 0.75 PDE10A (0.64) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL30123648 0.75 PDE10A (0.64) MAPK14MAPK13CSNK1DCSNK1EMAPK12

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-103159738-A Mixed aromatic compound of alkynyl bridging and application thereof SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD 2013-06-19 CN disclosed