SCHEMBL20977474

SCHEMBL20977474

CCCC#Cc1cnc(Nc2ccc(C#N)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
GRM5 P41594 2/20 0.41
MAOB P27338 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CYP11B2 P19099 5/20 0.40
CYP11B1 P15538 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
FLT3 P36888 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
TDO2 P48775 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20172004 0.84 SYK (0.48) SYKGRM5MAOBABCG2CYP11B2
SCHEMBL8877872 0.77 CYP2A6 (0.50) KCNH2ALDH1A1
SCHEMBL27637976 0.76 SYK (0.56) SYKGRM5MAOBMEN1KMT2A
SCHEMBL20172044 0.74 FLT3 (0.54) SYKGRM5MAOBABCG2FLT3
SCHEMBL20129536 0.72 FLT3 (0.60) SYKGRM5MAOBABCG2FLT3
SCHEMBL20152451 0.72 TSHR (0.50) CYP11B2KDM4EALDH1A1
SCHEMBL28610259 0.72 SYK (0.51) SYKGRM5MAOBABCG2CYP11B2
SCHEMBL15584131 0.70 FLT3 (0.60) SYKABCG2FLT3ABCB1ABCC1
SCHEMBL1741981 0.70 KCNH2 (0.55) SYKABCG2MEN1KMT2AKCNH2
SCHEMBL22578800 0.69 KDR (0.55) SYKFLT3KDM4EALDH1A1LMNA

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-3323811-B1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2019-05-08 EP disclosed