SCHEMBL29645849

SCHEMBL29645849

COc1cccc(-c2nc3c4c(C)cccc4nc(N[C@@H]4CCNC4=O)n3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SYK P43405 3/20 0.42
ZAP70 P43403 2/20 0.42
CYP1A2 P05177 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGDS O60760 3/20 0.40
TSHR P16473 4/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
HIF1A Q16665 1/20 0.39
PLAT P00750 2/20 0.38
USP2 O75604 2/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL22981111 1.00 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979360 1.00 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979262 1.00 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29646054 1.00 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29645892 1.00 MAPT (0.42) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979226 0.95 SYK (0.43) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29646122 0.95 SYK (0.43) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL29645494 0.95 SYK (0.43) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979913 0.95 SYK (0.43) MAPTSMN1; SMN2SYKZAP70CYP1A2
SCHEMBL22979555 0.94 SYK (0.44) 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
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