SCHEMBL807074

SCHEMBL807074

Nc1ccc2nc(N)c(-c3ccccc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.57
SRC P12931 1/20 0.57
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 2/20 0.54
TLR9 Q9NR96 2/20 0.51
ATM Q13315 2/20 0.51
PSMB5 P28074 3/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
GFER P55789 1/20 0.46
RCE1 Q9Y256 1/20 0.46
PKM P14618 1/20 0.46

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
Hydrochloric Acid SCHEMBL789680 0.98 FGFR1 (0.55) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL29533362 0.84 KMT2A (0.64) KMT2ANPC1MEN1RAB9ATLR9
SCHEMBL8574353 0.83 KMT2A (0.74) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL22919305 0.83 PSMB5 (0.71) KMT2ANPC1MEN1RAB9ATLR9
SCHEMBL790060 0.83 FGFR1 (0.54) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL789883 0.79 MAP4K4 (0.54) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL28457308 0.79 KMT2A (0.51) KMT2ANPC1MEN1RAB9ATLR9
SCHEMBL10277962 0.78 HSD17B1 (0.51) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL28156921 0.76 FGFR1 (0.62) FGFR1SRCKMT2ANPC1MEN1
SCHEMBL807058 0.76 MEN1 (0.48) FGFR1SRCKMT2ANPC1MEN1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed