SCHEMBL29645782

SCHEMBL29645782

Cn1cc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 2/20 0.43
KDM1A O60341 1/20 0.41
THRB P10828 3/20 0.41
TP53 P04637 2/20 0.40
SMARCA2 P51531 1/20 0.40
KMT2A Q03164 1/20 0.40
UHRF1 Q96T88 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ADORA2A P29274 1/20 0.39
ALK Q9UM73 1/20 0.38

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
SCHEMBL31149929 0.93 THRB (0.43) MAPTPOLBRAD52KDM1ATHRB
SCHEMBL29646322 0.90 RXFP1 (0.40) MAPTTHRBTP53ADORA3ADORA1
SCHEMBL29645783 0.89 ADORA3 (0.42) ADORA3
SCHEMBL29645874 0.89 ADORA3 (0.40) MAPTKDM1AADORA3ADORA1ADORA2A
SCHEMBL29645835 0.89 ADORA3 (0.39) MAPTPOLBRAD52ADORA3ADORA1
SCHEMBL29645480 0.89 MAPT (0.42) MAPTPOLBRAD52THRBTP53
SCHEMBL29645922 0.88 ADORA3 (0.42) MAPTPOLBTHRBTP53KMT2A
SCHEMBL29646080 0.87 MAPT (0.40) MAPTPOLBRAD52THRBTP53
SCHEMBL29645724 0.87 AXL (0.34) KDM1AALK
SCHEMBL29645994 0.87 MAPT (0.42) MAPTPOLBRAD52THRBTP53

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed