SCHEMBL3713598

SCHEMBL3713598

C[S+]([O-])c1ncc(C(N)=O)c(N(c2ccccc2)C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TGFBR1 P36897 7/20 0.34
▸ SYK P43405 3/20 0.34
▸ CCR5 P51681 4/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL3722179 0.80 SMN1; SMN2 (0.42) MEN1KMT2ASYK
SCHEMBL3718972 0.75 CYP3A4 (0.43) MEN1CYP3A4KMT2ATGFBR1SYK
SCHEMBL3715143 0.71 MAP3K5 (0.51) SYKMAPK8MAPK9JAK3
SCHEMBL3716217 0.70 SMN1; SMN2 (0.44) MEN1KMT2A
SCHEMBL2713930 0.69 OPRM1 (0.39) CYP3A4TGFBR1SYKCCR5CHEK1
SCHEMBL3718752 0.69 SYK (0.44) SYKMAPK8MAPK9JAK3
SCHEMBL25634102 0.68 SYK (0.53) SYKMAPK8MAPK9
SCHEMBL17083657 0.68 SYK (0.53) SYKMAPK8MAPK9
SCHEMBL12904538 0.67 JAK2 (0.55) SYKJAK3
SCHEMBL914058 0.67 VNN1 (0.41) SYKMAPK8MAPK9OPRM1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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