SCHEMBL8949165

SCHEMBL8949165

COc1nc(-c2ccc(C(=N)N)cc2)ncc1C(=O)N[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
ST14 Q9Y5Y6 7/20 0.45
F2 P00734 6/20 0.45
PRSS1 P07477 5/20 0.45
PRSS2 P07478 5/20 0.45
PRSS3 P35030 5/20 0.45
F10 P00742 2/20 0.45
PDE4B Q07343 4/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PLG P00747 1/20 0.40
DGAT1 O75907 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
HPGDS O60760 1/20 0.39
KLK7 P49862 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL8949105 0.92 GSK3B (0.47) GSK3BST14F2PRSS1PRSS2
SCHEMBL8949341 0.81 KLK7 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8410563 0.78 KDM1A (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8863874 0.76 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9095484 0.76 MEN1 (0.61) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8407664 0.75 MEN1 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949085 0.75 MEN1 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8949100 0.73 MEN1 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8407562 0.73 F2 (0.47) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9263770 0.73 F2 (0.43) ST14F2PRSS1PRSS2PRSS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed