SCHEMBL29550592

SCHEMBL29550592

C=C1COc2cccc3ncc4ncn1c4c23

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GRM5 P41594 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL29549652 0.72 PARP1 (0.36) NPC1RAB9AGRM5
SCHEMBL29550548 0.68
SCHEMBL29550093 0.60 PIK3CA (0.37)
SCHEMBL31360981 0.58 MTOR (0.35)
SCHEMBL29549948 0.57
SCHEMBL9209624 0.57 DPP4 (0.40) NPC1RAB9AGRM5
SCHEMBL25153679 0.56 MAPT (0.40) FGFR1
SCHEMBL2039172 0.55 FGFR1 (0.42) FGFR1GABRPGABRDGABRA1GABRB1
SCHEMBL2252071 0.55 FGFR1 (0.54) FGFR1RAB9A
SCHEMBL30096583 0.55 PARP1 (0.44) FGFR1NPC1RAB9A

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
WO-2022063303-A1 A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2022-03-31 WO disclosed