SCHEMBL2493333

SCHEMBL2493333

Fc1cccc(F)c1Oc1ccnc(-c2sc(Nc3cccnc3)nc2-c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
MAPK1 P28482 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 4/20 0.39
PPARG P37231 3/20 0.39
NCOA2 Q15596 3/20 0.39
NCOA1 Q15788 3/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2492728 0.85 PDE10A (0.38) KDRADORA3ADORA2AADORA1RAB9A
SCHEMBL2493080 0.75 KCNN1 (0.42) KDRRAB9AMEN1KMT2ANPC1
SCHEMBL191394 0.71 RAB9A (0.58) MAPK1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4059327 0.69 ALDH1A1 (0.61) MAPK1ALDH1A1RAB9APPARGNCOA2
SCHEMBL4057621 0.64 ALDH1A1 (0.66) ADORA3ADORA2AADORA1ALDH1A1RAB9A
SCHEMBL2580291 0.64 KIF11 (0.57) ALDH1A1MEN1KMT2AMAPTCYP1A1
SCHEMBL28462185 0.63 CDK5 (0.38) KDRALDH1A1RAB9APPARGNCOA2
SCHEMBL12305708 0.63 GCK (0.47) KDRMAPK1ALDH1A1RAB9AMEN1
SCHEMBL12158250 0.63 MAPT (0.61) MAPK1ALDH1A1RAB9APPARGNCOA2
SCHEMBL3119959 0.62 CYP3A4 (0.39) ALDH1A1RAB9APPARGNCOA2NCOA1

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-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed