SCHEMBL29645702

SCHEMBL29645702

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(F)cc3F)nn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADK P55263 1/20 0.35
MAPK14 Q16539 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL29645674 0.92 MAPT (0.41) MAPTTP53RXFP1POLBADORA3
SCHEMBL29645868 0.91 MAPT (0.37) MAPTTP53RXFP1POLBADORA3
SCHEMBL29645527 0.90 MAPT (0.41) MAPTTP53POLBADK
SCHEMBL29645913 0.89 CCNC (0.39) MAPT
SCHEMBL29646169 0.88 MAPT (0.37) MAPTTP53RXFP1POLBADK
SCHEMBL29645893 0.88 MAPT (0.45) MAPTTP53RXFP1POLBADORA3
SCHEMBL29646039 0.87 C1R (0.40) MAPTTP53RXFP1POLBADORA3
SCHEMBL29645638 0.86 MAPT (0.40) MAPTTP53RXFP1POLBADK
SCHEMBL29645503 0.86 ADORA3 (0.49) MAPTTP53RXFP1POLBADORA3
SCHEMBL29645608 0.85 MAPT (0.40) MAPTTP53POLBADORA3ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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