SCHEMBL11090147

SCHEMBL11090147

COc1cccc(-c2cnc(C#N)c(C#N)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
SQOR Q9Y6N5 1/20 0.49
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2B P29275 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
LRRK2 Q5S007 1/20 0.45
CYP19A1 P11511 1/20 0.45
PRKDC P78527 1/20 0.45
ATR Q13535 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL11443110 0.79 MAPT (0.50) KDM4EADORA2AADORA1RXFP1MAPT
SCHEMBL13458067 0.78 DYRK1A (0.61) ADORA2AADORA1DYRK1ACLK4MAPT
SCHEMBL13381758 0.76 MAPT (0.49) KDM4EADORA2AADORA1DYRK1ACLK4
SCHEMBL19243796 0.75 DYRK1A (0.50) ADORA2AADORA1DYRK1ACLK4MAPT
SCHEMBL19554539 0.74 MAOB (0.48) KDM4EGLASQORADORA2AADORA1
SCHEMBL2056993 0.74 HPGD (0.56) KDM4EGLASQORADORA2AADORA1
SCHEMBL24257700 0.73 BTK (0.54) KDM4EGLASQORADORA2AADORA1
SCHEMBL30453695 0.73 BTK (0.54) KDM4EGLASQORADORA2AADORA1
SCHEMBL1867048 0.72 DYRK1A (0.55) KDM4EGLASQORADORA2AADORA1
SCHEMBL15308478 0.72 ATR (0.57) KDM4EGLAADORA2AADORA1DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460403-A 2,3-Dicyano 6 phenyl pyrazine herbicides KYOWA GAS CHEMICAL INDUSTRY CO., LTD. (JP) 1984-07-17 US disclosed
US-4259489-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES KYOWA GAS CHEMICAL INDUSTRY CO. LTD. (JP) 1981-03-31 US disclosed