SCHEMBL29645700

SCHEMBL29645700

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(OC(F)(F)F)cc3)nn12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
THRB P10828 2/20 0.45
POLB P06746 4/20 0.42
ADORA3 P0DMS8 4/20 0.41
ADORA1 P30542 1/20 0.40
RAD52 P43351 2/20 0.39
KMT2A Q03164 2/20 0.39
SMARCA2 P51531 1/20 0.39
UHRF1 Q96T88 1/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 2/20 0.39
ALPL P05186 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR1 O43613 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29645775 0.90 MAPT (0.44) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29645486 0.88 ADORA3 (0.52) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29645487 0.88 MAPT (0.59) MAPTTHRBPOLBADORA3GAA
SCHEMBL29645760 0.87 MAPT (0.56) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29646028 0.87 MAPT (0.45) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29645503 0.86 ADORA3 (0.49) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29645720 0.86 ADORA3 (0.57) MAPTTHRBPOLBADORA3RAD52
SCHEMBL29645459 0.86 C1R (0.43) MAPTTHRBPOLBTP53SMN1; SMN2
SCHEMBL29645441 0.85 MAPT (0.47) MAPTTHRBPOLBADORA3ADORA1
SCHEMBL29645834 0.84 ADORA3 (0.49) MAPTTHRBPOLBADORA3ADORA1

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 4 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
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 disclosed
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 disclosed