SCHEMBL29646448

SCHEMBL29646448

COc1cccc(-c2nc3c4ccccc4nc(Cl)n3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2B6 P20813 2/20 0.55
AHR P35869 2/20 0.55
NR1I3 Q14994 2/20 0.55
VDR P11473 1/20 0.55
CYP2D6 P10635 5/20 0.52
USP2 O75604 3/20 0.52
MAPK1 P28482 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
THRB P10828 2/20 0.52
TSHR P16473 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL22979197 1.00 MAPT (0.57) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22987485 0.87 MAPT (0.52) MAPTSMN1; SMN2HSD17B10THRBADORA3
SCHEMBL22987469 0.87 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL29646439 0.86 ADORA3 (0.65) MAPTCYP1A2THRBADORA3ALDH1A1
SCHEMBL22979306 0.86 ADORA3 (0.65) MAPTCYP1A2THRBADORA3ALDH1A1
SCHEMBL22987471 0.86 MAPT (0.45) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22987875 0.86 MAPT (0.45) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22979767 0.85 ADORA3 (0.47) MAPTSMN1; SMN2THRBADORA3TP53
SCHEMBL29646340 0.85 ADORA3 (0.47) MAPTSMN1; SMN2THRBADORA3TP53
SCHEMBL22980034 0.84 RXFP1 (0.61) MAPTSMN1; SMN2NR1I3MAPK1THRB

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 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