SCHEMBL4607070

SCHEMBL4607070

CC(C)(C)OC(=O)Nc1csnc1C1CCCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HPGDS O60760 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
PSMB8 P28062 1/20 0.34
FPR2 P25090 1/20 0.34
GLS O94925 2/20 0.34
USP30 Q70CQ3 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FEN1 P39748 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
ACKR3 P25106 1/20 0.33
CHRM1 P11229 1/20 0.33
HCRTR2 O43614 1/20 0.32
METAP1 P53582 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
SCHEMBL4475659 0.84 JAK2 (0.48) JAK2JAK1USP30
SCHEMBL27746315 0.69 KMT2A (0.34)
SCHEMBL27095117 0.68 PDE2A (0.40) JAK2JAK1HPGDS
SCHEMBL3865123 0.68 PSMB8 (0.46) CA1CA2PSMB8METAP1
SCHEMBL31603856 0.68 TMIGD3 (0.44) LMNANPSR1
SCHEMBL3487489 0.68 CA1 (0.71) CA1CA2USP30
SCHEMBL1467769 0.68 CA1 (0.71) CA1CA2USP30
SCHEMBL3487968 0.68 CA1 (0.71) CA1CA2USP30
SCHEMBL28751826 0.67 JAK2 (0.47) JAK2JAK1HPGDSFPR2USP30
SCHEMBL18061059 0.67 CA1 (0.55) CA1CA2FPR2USP30

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-1945643-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed