SCHEMBL25490266

SCHEMBL25490266

N#Cc1nc(C#N)c2c(n1)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.41
▸ ELANE P08246 1/20 0.38
▸ ALOX15 P16050 3/20 0.36
▸ GPR3 P46089 1/20 0.35
▸ ADK P55263 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31

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
SCHEMBL25484885 0.81 ALOX15 (0.32) EGLN1ALOX15
SCHEMBL25490264 0.75 LIMK1 (0.40) EGLN1GPR3KDM4EMAPTNPSR1
SCHEMBL1512630 0.73 GPR3 (0.40) EGLN1ELANEALOX15GPR3KDM4E
SCHEMBL25491199 0.73 ALOX5 (0.39) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL25490310 0.72 ALOX15 (0.32) ALOX15ALDH1A1HSD17B10
SCHEMBL20024749 0.66 KDM4E (0.38) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL15358258 0.66 DYRK1A (0.41) KDM4EALDH1A1GAAMAPTNPSR1
SCHEMBL25490262 0.66 PSMB8 (0.37) ALOX15KDM4EALDH1A1POLBGAA
SCHEMBL17030414 0.65 MAPT (0.48) EGLN1GPR3KDM4EMAPTNPSR1
SCHEMBL14629295 0.64 GPR3 (0.41) EGLN1GPR3KDM4EALDH1A1POLB

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
WO-2023078812-A1 BENZOFURO[3,2-D]PYRIMIDINO-2,4-DICARBONITRIL DERIVATIVES AND SIMILAR COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2023-05-11 — — WO disclosed
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