SCHEMBL8233363

SCHEMBL8233363

Nc1nc(-c2ccccc2)cn1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ TLR8 Q9NR97 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2A P29274 3/20 0.46
▸ SRC P12931 3/20 0.46
▸ FGFR1 P11362 2/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ PRKCQ Q04759 1/20 0.45
▸ TNK2 Q07912 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL2953516 0.73 MAPT (1.00) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL5318358 0.72 ALDH1A1 (0.63) MAPTALDH1A1KDM4EPKMTLR8
Carbamic Acid SCHEMBL32671933 0.71 ALDH1A1 (0.41) MAPTALDH1A1KDM4EPKMADORA1
SCHEMBL5345839 0.70 MAPT (0.61) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL6812784 0.70 ALDH1A1 (0.92) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL8233962 0.69 ALDH1A1 (0.45) MAPTALDH1A1KDM4EADORA1ADORA2A
SCHEMBL5339452 0.68 TLR8 (0.71) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL28430258 0.68 ALDH1A1 (0.58) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL28426192 0.67 TLR8 (0.60) MAPTALDH1A1KDM4EPKMTLR8
SCHEMBL27217006 0.67 SRC (0.38) MAPTALDH1A1KDM4EADORA1SRC

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 — — WO disclosed
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