SCHEMBL26070833

SCHEMBL26070833

N#Cc1[nH]nnc1-c1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ MAPK14 Q16539 3/20 0.34
▸ MAPK13 O15264 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ MYC P01106 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ LOX P28300 1/20 0.32
▸ LOXL3 P58215 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL18006148 0.89 ADORA2A (0.41) CCNCCDK8ADORA2AADORA1IDO1
SCHEMBL18006097 0.81 HPGD (0.43) IDO1MAPK14
SCHEMBL18006115 0.81 CDK8 (0.41) CCNCCDK8ADORA2AADORA1MAPK14
SCHEMBL1250229 0.81 ERBB2 (0.47) GRM5MYCLRRK2
SCHEMBL18006159 0.80 ADORA1 (0.38) ADORA2AADORA1GRM5
SCHEMBL18004342 0.79 TAAR1 (0.44) ADORA2AADORA1IDO1GRM5
SCHEMBL17969183 0.79 ERBB2 (0.49) GRM5MYCLRRK2
SCHEMBL18006160 0.78 ADORA2A (0.39) ADORA2AADORA1IDO1GRM5
SCHEMBL18005161 0.77 MAPK14 (0.36) ADORA2AADORA1IDO1MAPK14MAPK13
SCHEMBL18006010 0.77 CCNC (0.40) CCNCCDK8ADORA2AADORA1MAPK14

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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