SCHEMBL27273152

SCHEMBL27273152

Cn1ncc2cc(C(=O)Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAOA P21397 2/20 0.58
ACHE P22303 1/20 0.58
AR P10275 5/20 0.49
VNN1 O95497 1/20 0.49
PTGER3 P43115 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
ESR1 P03372 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
WNT1 P04628 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
CCNC P24863 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
SCHEMBL30159516 0.85 MAOB (0.56) MAOBMAOAACHEARVNN1
SCHEMBL4410330 0.85 MAOB (0.59) MAOBMAOAACHEARVNN1
SCHEMBL1144709 0.85 MAOB (0.56) MAOBMAOAACHEARVNN1
SCHEMBL15875020 0.83 AR (0.66) MAOBMAOAACHEARVNN1
SCHEMBL30159522 0.83 AR (0.66) MAOBMAOAACHEARVNN1
SCHEMBL15332965 0.82 MAOB (0.53) MAOBMAOAACHEARVNN1
SCHEMBL23559657 0.81 CCNC (0.63) MAOBMAOAACHEARVNN1
SCHEMBL4145627 0.81 MAOB (0.52) MAOBMAOAACHEARVNN1
SCHEMBL1144917 0.81 PDE1C (0.57) MAOBMAOAACHEARVNN1
SCHEMBL20646983 0.81 MAOB (0.52) MAOBMAOAACHEARVNN1

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-2024133560-A1 IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS MLLT1 AND MLLT3 INHIBITORS DARK BLUE THERAPEUTICS LTD (GB) 2024-06-27 WO disclosed