SCHEMBL4775381

SCHEMBL4775381

N#CCOc1ccccc1-c1ccc2nc(N)nc(-c3ccccc3)c2n1.N#Cc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
MAOA P21397 2/20 0.43
ADORA1 P30542 10/20 0.41
ADORA2A P29274 10/20 0.41
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
ATR Q13535 1/20 0.35
IKBKB O14920 1/20 0.35

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
SCHEMBL4113347 0.92 MAOB (0.45) MAOBMAOAADORA1ADORA2AALOX5AP
SCHEMBL4775383 0.88 MAOB (0.38) MAOBMAOAADORA1ADORA2AALOX5AP
SCHEMBL4101040 0.85 ADORA2A (0.44) MAOBMAOAADORA1ADORA2A
SCHEMBL4110202 0.85 ADORA1 (0.51) ADORA1ADORA2AATR
SCHEMBL4107496 0.78 DCPS (0.48) MAOBADORA2A
SCHEMBL4096455 0.77 MAOB (0.49) MAOBMAOAADORA1ADORA2A
SCHEMBL4108022 0.76 MAOB (0.44) MAOBMAOAALOX5APFEN1
SCHEMBL4107477 0.75 ADORA2A (0.49) ADORA1ADORA2AATR
SCHEMBL4102014 0.74 MAOB (0.44) MAOBMAOAADORA1ADORA2AALOX5AP
SCHEMBL4097472 0.74 ADORA2A (0.53) ADORA1ADORA2A

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-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed