SCHEMBL9115256

SCHEMBL9115256

O=C1c2nccnc2-c2n[nH]c3cccc1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.64
KDR P35968 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPK8 P45983 3/20 0.64
MAPK9 P45984 3/20 0.64
LCK P06239 3/20 0.64
CSF1R P07333 3/20 0.64
FGFR1 P11362 3/20 0.64
ROCK1 Q13464 3/20 0.64
MAPK10 P53779 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KIT P10721 2/20 0.64
FLT3 P36888 2/20 0.64
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
PLK4 O00444 2/20 0.64
AURKA O14965 2/20 0.64
DAPK3 O43293 2/20 0.64
PRKD3 O94806 2/20 0.64

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
SCHEMBL9201258 0.86 MEN1 (0.67) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL8796647 0.86 MEN1 (0.67) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL29941507 0.78 ALDH1A1 (1.00) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL170980 0.78 ALDH1A1 (1.00) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL29693577 0.78 ALDH1A1 (1.00) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL8866586 0.74 TTK (0.73) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL7817760 0.74 PIM1 (0.72) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL7810309 0.74 TTK (0.72) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL7946079 0.72 KDR (0.65) TTKKDRALDH1A1MAPK8MAPK9
SCHEMBL1296328 0.72 TTK (0.65) TTKKDRALDH1A1MAPK8MAPK9

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
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO claimed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed