SCHEMBL29645596

SCHEMBL29645596

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cc(F)ccc3OC(F)(F)F)nn12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.39
MAPT P10636 7/20 0.39
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 3/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
POLB P06746 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL29646039 0.94 C1R (0.40) C1RMAPTTP53RXFP1THRB
SCHEMBL29645459 0.93 C1R (0.43) C1RMAPTTP53RXFP1THRB
SCHEMBL29645621 0.91 C1R (0.37) C1RMAPTTP53RXFP1THRB
SCHEMBL29645546 0.91 MAPT (0.38) C1RMAPTTP53THRBSMN1; SMN2
SCHEMBL29645674 0.87 MAPT (0.41) MAPTTP53RXFP1ADORA3POLB
SCHEMBL29645715 0.86 MAPT (0.39) C1RMAPTTP53THRBADORA3
SCHEMBL29645518 0.86 C1R (0.38) C1RMAPTTP53THRBSMN1; SMN2
SCHEMBL29645620 0.85 MAPT (0.36) C1RMAPTTP53RXFP1THRB
SCHEMBL29645642 0.85 MAPT (0.43) C1RMAPTTP53RXFP1THRB
SCHEMBL29645702 0.85 MAPT (0.41) MAPTTP53RXFP1ADORA3POLB

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