SCHEMBL29645685

SCHEMBL29645685

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cncc(C(F)(F)F)c3)nn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
THRB P10828 3/20 0.41
TP53 P04637 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 4/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.38
ADORA1 P30542 1/20 0.36

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 0.91 MAPT (0.43) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645485 0.89 MAPT (0.44) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645838 0.88 MAPT (0.43) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645486 0.88 ADORA3 (0.52) MAPTTHRBADORA3POLBRAD52
SCHEMBL29645605 0.86 MAPT (0.47) MAPTTHRBTP53POLBRXFP1
SCHEMBL29645634 0.86 THRB (0.48) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645925 0.85 MAPT (0.43) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645477 0.84 MAPT (0.37) MAPTTP53ADORA3POLBRXFP1
SCHEMBL29645760 0.84 MAPT (0.56) MAPTTHRBTP53ADORA3POLB
SCHEMBL29645731 0.81 MAPT (0.44) MAPTTHRBTP53ADORA3POLB

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