SCHEMBL29645539

SCHEMBL29645539

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(C(F)(F)F)n3)nn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.41
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
TGFBR2 P37173 1/20 0.37
IGF1R P08069 1/20 0.36
ADK P55263 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL29645477 0.84 MAPT (0.37) MAPTPOLBADKRXFP1
SCHEMBL29646134 0.83 CYP1A2 (0.42) MAPTPOLB
SCHEMBL29645486 0.83 ADORA3 (0.52) MAPTPOLB
SCHEMBL29645666 0.82 MAPT (0.40) MAPTPOLBADKRXFP1
SCHEMBL29645485 0.82 MAPT (0.44) MAPTPOLBRXFP1
SCHEMBL29645925 0.82 MAPT (0.43) MAPTPOLBRXFP1
SCHEMBL29645504 0.82 MAPT (0.43) MAPTPOLBRXFP1
SCHEMBL29646096 0.82 DHODH (0.39) MAPTPOLBADK
SCHEMBL29645760 0.82 MAPT (0.56) MAPTPOLBRXFP1
SCHEMBL29645457 0.81 MAPT (0.41) MAPTPOLBADKRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
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