SCHEMBL20351544

SCHEMBL20351544

Cc1cc(-c2cn(C)c3ncnc(N)c23)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 13/20 0.49
SRC P12931 2/20 0.49
FLT3 P36888 1/20 0.46
RIPK2 O43353 2/20 0.46
RIPK1 Q13546 1/20 0.46
LCK P06239 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
MET P08581 1/20 0.44
AXL P30530 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44

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
SCHEMBL20351721 0.87 SRC (0.41) EIF2AK3SRCRIPK1LCKKDR
SCHEMBL20351783 0.85 RIPK2 (0.61) EIF2AK3SRCFLT3RIPK2MET
SCHEMBL20351597 0.85 EIF2AK3 (0.50) EIF2AK3SRCFLT3RIPK2LCK
SCHEMBL20351744 0.83 SRC (0.57) EIF2AK3SRCLCKKDRTEK
SCHEMBL18044717 0.81 KDR (0.59) SRCFLT3RIPK2LCKKDR
SCHEMBL23966767 0.81 RIPK2 (0.69) SRCFLT3RIPK2LCKKDR
SCHEMBL30180693 0.81 RIPK2 (0.69) SRCFLT3RIPK2LCKKDR
SCHEMBL12608277 0.81 EIF2AK3 (0.45) EIF2AK3SRCFLT3RIPK1LCK
SCHEMBL13020096 0.79 SRC (0.69) EIF2AK3SRCFLT3RIPK2LCK
SCHEMBL23917434 0.79 SRC (0.61) SRCFLT3RIPK2LCKKDR

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-110036014-B Compound with AXL inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-09-07 CN disclosed
WO-2018121228-A1 COMPOUND HAVING AXL INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2018-07-05 WO disclosed