Isonicotinonitrile

Isonicotinonitrile

SCHEMBL27701693

N#Cc1ccncc1.ON=Cc1ccncc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.48
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TTK P33981 1/20 0.36
ACHE P22303 2/20 0.36
CTH P32929 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34

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
Isonicotinonitrile SCHEMBL27701747 0.87 GRK2 (0.48) GRK2KMT2AMEN1GAAKDM4E
SCHEMBL982231 0.84
SCHEMBL352177 0.84
SCHEMBL591208 0.84
SCHEMBL3821801 0.82 KMT2A (0.58) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL2449990 0.82 KMT2A (0.58) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1230125 0.82 KMT2A (0.58) KMT2AMEN1GAAKDM4EALDH1A1
Bromide SCHEMBL28108732 0.82 ACHE (0.45) KMT2AMEN1GAAKDM4EALDH1A1
Bromide SCHEMBL7180391 0.82 ACHE (0.45) KMT2AMEN1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6901823 0.82 ACHE (0.45) KMT2AMEN1GAAKDM4EALDH1A1

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
CN-101048380-B Process for production of 2-hydroxy-4-substituted pyridines YUKI GOSEI YAKUHIN KOGYO KK 2012-06-20 CN disclosed
CN-101048380-A Process for production of 2-hydroxy-4-substituted pyridines YUKI GOSEI YAKUHIN KOGYO KK (JP) 2007-10-03 CN disclosed