SCHEMBL29604896

SCHEMBL29604896

CN1CC[C@@](O)(c2cccc(-c3nc(-c4ccc5cnn(C)c5c4)cs3)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 6/20 0.41
▸ FASN P49327 1/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CDC25C P30307 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL29605217 0.79 MAP3K14 (0.50) MAP3K14MEN1ALDH1A1MAPTKMT2A
SCHEMBL29604666 0.79 MAP3K14 (0.48) MAP3K14ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL29604858 0.78 MAP3K14 (0.39) MAP3K14SMN1; SMN2
SCHEMBL26643744 0.77 MAP3K14 (0.40) MAP3K14HSD17B1HSD17B2IDH1SREBF2
SCHEMBL26643945 0.77 MAP3K14 (0.40) MAP3K14HSD17B1HSD17B2SREBF2
SCHEMBL26643769 0.77 MAP3K14 (0.40) MAP3K14HSD17B1HSD17B2IDH1SREBF2
SCHEMBL31691126 0.77 MAP3K14 (0.40) MAP3K14HSD17B1HSD17B2IDH1SREBF2
SCHEMBL26643951 0.77 MAP3K14 (0.40) MAP3K14HSD17B1HSD17B2SREBF2
SCHEMBL29605327 0.77 MAP3K14 (0.38) MAP3K14HSD17B1HSD17B2IDH1SMN1; SMN2
SCHEMBL29605041 0.76 MAP3K14 (0.36) MAP3K14FASNBRD4

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-4244224-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2023-09-20 — — EP disclosed
WO-2022104348-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2022-05-19 — — WO disclosed
Send feedback