SCHEMBL29645817

SCHEMBL29645817

COc1ccc(-c2nc3c4ccccc4nc(N[C@@H]4CNCCNC4=O)n3n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
THRB P10828 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PLAT P00750 1/20 0.37
GAA P10253 2/20 0.36
CHEK2 O96017 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TP53 P04637 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 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
SCHEMBL22979401 1.00 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1PLAT
SCHEMBL22979080 0.89 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1PLAT
SCHEMBL29648696 0.89 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1PLAT
SCHEMBL22979373 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL22979231 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL29645531 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL29646458 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL22981147 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL29645938 0.88 CYP1A2 (0.41) MAPTTHRBSMN1; SMN2RXFP1GAA
SCHEMBL22979282 0.88 MAPT (0.53) MAPTTHRBSMN1; SMN2RXFP1GAA

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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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