SCHEMBL29645485

SCHEMBL29645485

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 2/20 0.42
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL29645504 0.93 MAPT (0.43) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645486 0.90 ADORA3 (0.52) MAPTTHRBPOLBABCG2ADORA3
SCHEMBL29645685 0.89 MAPT (0.41) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645458 0.88 MAPT (0.50) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645760 0.87 MAPT (0.56) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645477 0.87 MAPT (0.37) MAPTRXFP1TP53POLBADORA3
SCHEMBL29645775 0.86 MAPT (0.44) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645571 0.86 MAPT (0.46) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645968 0.86 MAPT (0.48) MAPTRXFP1TP53THRBPOLB
SCHEMBL29645925 0.85 MAPT (0.43) MAPTRXFP1TP53THRBPOLB

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