SCHEMBL29645459

SCHEMBL29645459

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.43
MAPT P10636 8/20 0.38
THRB P10828 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PDE10A Q9Y233 1/20 0.36
AURKA O14965 1/20 0.35
MGLL Q99685 1/20 0.35
ADK P55263 1/20 0.35
GRM5 P41594 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
SCHEMBL29645596 0.93 C1R (0.39) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29646039 0.92 C1R (0.40) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29645620 0.92 MAPT (0.36) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29645621 0.90 C1R (0.37) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29645546 0.90 MAPT (0.38) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29645715 0.89 MAPT (0.39) C1RMAPTTHRBTP53POLB
SCHEMBL29645518 0.89 C1R (0.38) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29646060 0.89 TP53 (0.47) C1RMAPTTHRBTP53SMN1; SMN2
SCHEMBL29645792 0.87 MAPT (0.38) MAPTTHRBTP53SMN1; SMN2POLB
SCHEMBL29646134 0.87 CYP1A2 (0.42) C1RMAPTTP53POLB

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