SCHEMBL29645495

SCHEMBL29645495

COc1cccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CNCCNC4=O)n3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SYK P43405 2/20 0.39
ZAP70 P43403 1/20 0.39
CYP1A2 P05177 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 4/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HIF1A Q16665 1/20 0.38
CSNK1D P48730 1/20 0.36
CYP2D6 P10635 2/20 0.35
PLAT P00750 2/20 0.35
THRB P10828 2/20 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
SCHEMBL22988383 1.00 MAPT (0.41) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29645762 0.92 MAPT (0.39) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL22979906 0.92 MAPT (0.39) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL22979963 0.92 MAPT (0.39) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL29645858 0.92 MAPT (0.39) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL22979360 0.91 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979262 0.91 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29645892 0.91 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22981111 0.91 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29645849 0.91 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2

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