SCHEMBL29645957

SCHEMBL29645957

COc1ccc(-c2nc3c4cc(C(F)(F)F)ccc4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.47
THRB P10828 2/20 0.45
MAPT P10636 2/20 0.45
ACP1 P24666 2/20 0.44
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2B P29275 1/20 0.40
TP53 P04637 1/20 0.39
GAK O14976 1/20 0.39

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
SCHEMBL29645823 0.93 THRB (0.45) ADORA3THRBMAPTACP1POLB
SCHEMBL29645943 0.90 MAPT (0.50) ADORA3THRBMAPTPOLBRXFP1
SCHEMBL31150087 0.90 ADORA3 (0.48) ADORA3THRBMAPTACP1POLB
SCHEMBL29645909 0.90 ADORA3 (0.44) ADORA3THRBMAPTADORA2AADORA1
SCHEMBL29645988 0.89 MAPT (0.47) ADORA3THRBMAPTPOLBRXFP1
SCHEMBL29646002 0.88 MAPT (0.48) ADORA3THRBMAPTPOLBRXFP1
SCHEMBL29645491 0.88 MAPT (0.48) ADORA3THRBMAPTACP1POLB
SCHEMBL29645698 0.87 ADORA3 (0.54) ADORA3THRBMAPTPOLBKDM4E
SCHEMBL29645577 0.87 MAPT (0.45) ADORA3THRBMAPTPOLBRXFP1
SCHEMBL29645487 0.87 MAPT (0.59) ADORA3THRBMAPTACP1POLB

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