SCHEMBL29645792

SCHEMBL29645792

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
TP53 P04637 1/20 0.38
P2RX7 Q99572 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.35
ADK P55263 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL29645568 0.89 MAPT (0.35) MAPTTP53P2RX7POLBTHRB
SCHEMBL29645931 0.89 MAPT (0.39) MAPTTP53P2RX7POLBADORA3
SCHEMBL29646060 0.89 TP53 (0.47) MAPTTP53POLBMEN1KMT2A
SCHEMBL29645620 0.88 MAPT (0.36) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL29645459 0.87 C1R (0.43) MAPTTP53POLBTHRBSMN1; SMN2
SCHEMBL29646028 0.86 MAPT (0.45) MAPTTP53POLBKMT2ATHRB
SCHEMBL29645527 0.85 MAPT (0.41) MAPTTP53POLBADK
SCHEMBL29645608 0.84 MAPT (0.40) MAPTTP53POLBKMT2ATHRB
SCHEMBL29645636 0.83 MAPT (0.47) MAPTPOLBMEN1KMT2ATHRB
SCHEMBL29645843 0.83 KMT2A (0.44) MAPTTP53POLBMEN1KMT2A

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