SCHEMBL7407358

SCHEMBL7407358

c1ccc2[nH]c(Cc3nc4cc(-n5ccnc5)ccc4[nH]3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.50
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP19A1 P11511 1/20 0.49
GAA P10253 2/20 0.47
NCOA3 Q9Y6Q9 1/20 0.45
CLK4 Q9HAZ1 1/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F7 P08709 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
F9 P00740 1/20 0.43
LMNA P02545 2/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7832698 0.83 F9 (0.42) CBFBFGFR1FLT1CYP11B1CYP11B2
SCHEMBL7406624 0.82 CBFB (0.43) CBFBFGFR1FLT1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155236 0.82 F9 (0.46) CBFBFGFR1FLT1CYP11B1CYP11B2
SCHEMBL7406663 0.82 F10 (0.54) F2F10F7F9
SCHEMBL7822768 0.81 IDH1 (0.48) CBFBFGFR1FLT1CYP11B1CYP11B2
SCHEMBL7821986 0.81 NPC1 (0.55) CBFBFGFR1FLT1CYP11B1CYP11B2
SCHEMBL7821729 0.81 RAB9A (0.55) CBFBCYP11B1CYP11B2CYP19A1GAA
SCHEMBL7833749 0.80 MEN1 (0.46) CBFBFGFR1FLT1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8159907 0.80 RAB9A (0.54) CBFBCYP11B1CYP11B2CYP19A1GAA
Hydrochloric Acid SCHEMBL8155587 0.80 NPC1 (0.54) CBFBFGFR1FLT1CYP11B1CYP11B2

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed