SCHEMBL73280

SCHEMBL73280

COc1ccc(N)c(-c2cccc(-c3cnc4ccccn34)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.50
MIF P14174 1/20 0.46
FLT3 P36888 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA2 P47869 1/20 0.43
USP7 Q93009 1/20 0.42
KDR P35968 3/20 0.42
RIPK2 O43353 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT1 P42224 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15757448 0.77 FLT3 (0.65) PIK3CAMIFFLT3USP7KDR
SCHEMBL73153 0.76 CDK2 (0.58) PIK3CAMIFFLT3KDRPKM
SCHEMBL73445 0.75 MIF (0.60) PIK3CAMIFFLT3KDRPKM
SCHEMBL29845215 0.73 PRMT5 (0.51) FLT3GABRG2GABRB3GABRA3KDR
SCHEMBL19153276 0.73 KDM4E (0.47) PIK3CAMIFFLT3KDRNPC1
SCHEMBL28255761 0.72 TDO2 (0.55) ADORA2AADORA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848505 0.72 PIK3CA (0.65) PIK3CAMIFFLT3USP7RIPK2
SCHEMBL14138786 0.72 MIF (0.60) PIK3CAMIFFLT3GABRG2GABRB3
SCHEMBL3785577 0.71 ALDH1A1 (0.50) ADORA2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29492486 0.71 ALDH1A1 (0.50) ADORA2ANPC1ALDH1A1RAB9ASMN1; SMN2

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
US-8131527-B1 FGFR pharmacophore compounds ASTEX THERAPEUTICS LTD. (GB) 2012-03-06 US disclosed