SCHEMBL7433478

SCHEMBL7433478

Oc1ccnc(-c2ccncc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
FYN P06241 2/20 0.42
QDPR P09417 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CDK5 Q00535 3/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
MAP4K4 O95819 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
ACVR1 Q04771 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL1027176 0.83 ASIC3 (0.59) FYNLMNAMAPTHSD17B1HSD17B2
SCHEMBL30574378 0.83 ASIC3 (0.59) FYNLMNAMAPTHSD17B1HSD17B2
SCHEMBL1071219 0.81 CCR1 (0.48) LMNACDK5HSD17B1HSD17B2CDK5R1
SCHEMBL10324727 0.79 LMNA (0.55) PDGFRBPDGFRAQDPRLMNAMAPT
SCHEMBL27157236 0.79 NPC1 (0.56) FYNMAPTHSD17B1HSD17B2MAPKAPK2
SCHEMBL21228520 0.79 MAPT (0.56) FYNLMNAMAPTHSD17B1HSD17B2
SCHEMBL9131899 0.79 CCR1 (0.46) LMNACDK5HSD17B1HSD17B2PIK3CA
SCHEMBL12463924 0.76 HRH4 (0.51) PDGFRAFYNCDK5HSD17B1HSD17B2
SCHEMBL2077041 0.76 LMNA (0.56) LMNAMAPTDYRK1AGSK3B
SCHEMBL12335822 0.75 NPC1 (0.59) FYNMAPTDYRK1ACLK4

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-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed