SCHEMBL8280372

SCHEMBL8280372

CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(I)[C@]5(C)O1)CNC3=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 13/20 0.79
MAP3K9 P80192 12/20 0.79
MAP3K10 Q02779 8/20 0.79
KDR P35968 4/20 0.79
FLT1 P17948 2/20 0.79
FLT4 P35916 2/20 0.79
DLK1 P80370 2/20 0.79
NTRK1 P04629 8/20 0.74
PRKCQ Q04759 3/20 0.59
PRKD3 O94806 2/20 0.59
PRKCA P17252 2/20 0.59
PRKCH P24723 2/20 0.59
PRKCI P41743 2/20 0.59
PRKCE Q02156 2/20 0.59
PRKCD Q05655 2/20 0.59
PRKD1 Q15139 2/20 0.59
PRKCG P05129 1/20 0.59
PRKCB P05771 1/20 0.59
PRKCZ Q05513 1/20 0.59
JAK2 O60674 2/20 0.58

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
SCHEMBL5964631 0.91 MAP3K11 (0.86) MAP3K11MAP3K9MAP3K10KDRFLT1
Cep-1347 SCHEMBL29381680 0.88 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1
Cep-1347 SCHEMBL8263437 0.88 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1
Cep-1347 SCHEMBL30198505 0.88 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1
Cep-1347 SCHEMBL12047710 0.88 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1
SCHEMBL13142263 0.85 MAP3K11 (0.93) MAP3K11MAP3K9MAP3K10KDRFLT1
SCHEMBL13140134 0.85 MAP3K11 (0.93) MAP3K11MAP3K9MAP3K10KDRFLT1
SCHEMBL12445000 0.84 MAP3K11 (0.90) MAP3K11MAP3K9MAP3K10KDRFLT1
SCHEMBL15289975 0.79 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1
SCHEMBL29366906 0.79 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10KDRFLT1

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-2005082920-A1 CRYSTALLINE FORMS OF A PHARMACEUTICAL COMPOUND H. LUNDBECK A/S (DK) 2005-09-09 WO disclosed