SCHEMBL29645976

SCHEMBL29645976

CS(=O)(=O)c1ccc(-c2nc3c4cccc(Br)c4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.36
JAK2 O60674 4/20 0.34
PTK2 Q05397 4/20 0.34
MAOB P27338 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX5 P09917 1/20 0.33
JAK3 P52333 2/20 0.33
P2RX7 Q99572 1/20 0.33
ADORA2A P29274 1/20 0.33
MAPK10 P53779 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL29645755 0.87 MAPT (0.40) ADORA3ADORA2AMAPT
SCHEMBL29645825 0.87 TP53 (0.41) ADORA3TP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL29645930 0.87 POLB (0.38) ADORA3TP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL29646008 0.87 KDM4E (0.47) ADORA3TP53SMN1; SMN2RXFP1ADORA2A
SCHEMBL29645818 0.86 MAPT (0.45) KDM1AADORA3TP53POLBKDM4E
SCHEMBL29645810 0.82 ADORA3 (0.35) KDM1AADORA3TP53SMN1; SMN2RXFP1
SCHEMBL29645799 0.82 LMNA (0.38) TP53RXFP1MAPT
SCHEMBL29645797 0.81 JAK2 (0.32) JAK2ADORA3TP53P2RX7ADORA2A
SCHEMBL29646037 0.81 KDM4E (0.45) JAK2PTK2ADORA3TP53JAK3
SCHEMBL29645808 0.80 TP53 (0.45) ADORA3TP53SMN1; SMN2RXFP1POLB

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