SCHEMBL28046320

SCHEMBL28046320

c1cc(-n2cncn2)c2cc[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.57
AXL P30530 1/20 0.49
AKT2 P31751 1/20 0.47
NUDT1 P36639 7/20 0.44
PBK Q96KB5 2/20 0.43
AURKB Q96GD4 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41

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
Tert-Butyl Formate SCHEMBL28046308 0.85 PRKCI (0.44) PRKCIAXLAKT2NUDT1PBK
SCHEMBL28824874 0.73 PRKCI (0.55) PRKCIAXLAKT2NUDT1PBK
SCHEMBL99352 0.73 PRKCI (1.00) PRKCIAXLAKT2NUDT1PBK
SCHEMBL13774670 0.73 PRKCI (0.70) PRKCIAXLAKT2NUDT1PBK
SCHEMBL29540790 0.72 PRKCI (0.60) PRKCIAXLAKT2NUDT1PBK
SCHEMBL101224 0.72 PRKCI (0.60) PRKCIAXLAKT2NUDT1PBK
SCHEMBL8673731 0.71 NCF1 (0.46) GRM4CYP2A6
SCHEMBL13774669 0.71 PRKCI (0.52) PRKCIAXLAKT2NUDT1PBK
SCHEMBL29540824 0.71 PRKCI (0.62) PRKCIAKT2NUDT1AURKBIKBKB
SCHEMBL102315 0.71 PRKCI (0.62) PRKCIAKT2NUDT1AURKBIKBKB

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
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed