SCHEMBL5345839

SCHEMBL5345839

Nc1nc(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
PKM P14618 1/20 0.61
TLR8 Q9NR97 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ADORA1 P30542 4/20 0.49
ADORA2A P29274 4/20 0.49
FGFR1 P11362 2/20 0.47
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
LTK P29376 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK9 P45984 1/20 0.47
RPS6KA3 P51812 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
TNK2 Q07912 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NPC1 O15118 2/20 0.44

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
SCHEMBL5347074 0.90 MAPT (0.50) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL8233362 0.88 MAPT (0.49) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL5320946 0.87 ALDH1A1 (0.51) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL24461941 0.84 MAPT (0.49) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL8034913 0.81 TLR8 (0.56) MAPTALDH1A1KDM4ETLR8ADORA1
SCHEMBL5319270 0.80 MAPT (0.47) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL25432056 0.79 ADORA2A (0.54) MAPTALDH1A1KDM4EPKMADORA1
SCHEMBL82549 0.78 PTGS1 (0.62) MAPTALDH1A1KDM4EPKMNPC1
SCHEMBL8233628 0.78 TLR8 (0.50) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL5318961 0.78 ALDH1A1 (0.53) MAPTALDH1A1KDM4EPKMTLR8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110396116-B [ N, O ] bidentate nickel and palladium complex of ketone-imidazoline-2-imine ligand, and preparation method and application thereof 东华大学 2020-07-28 CN disclosed
WO-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed