SCHEMBL29646346

SCHEMBL29646346

Cc1nc(-c2nc3c4ccccc4[nH]c(=O)n3n2)co1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62
GABRA4 P48169 1/20 0.62
GABRE P78334 1/20 0.62
GABRA6 Q16445 1/20 0.62
GABRG1 Q8N1C3 1/20 0.62
GABRG3 Q99928 1/20 0.62
GABRQ Q9UN88 1/20 0.62
HAVCR2 Q8TDQ0 3/20 0.61

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
SCHEMBL22979020 1.00 TP53 (0.63) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987638 0.81 GABRP (0.64) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979403 0.79 GABRP (0.66) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646408 0.79 GABRP (0.66) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979370 0.79 TP53 (0.63) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22987973 0.79 TP53 (0.63) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22980133 0.78 TP53 (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL22979071 0.78 TP53 (0.69) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646306 0.78 TP53 (0.69) TP53SMN1; SMN2RXFP1GABRPGABRD
SCHEMBL29646386 0.78 TP53 (1.00) TP53SMN1; SMN2RXFP1GABRPGABRD

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