SCHEMBL29605401

SCHEMBL29605401

CN1CC[C@@](O)(c2cccc(-c3csc(-n4ccc5nc(N)ccc54)n3)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 10/20 0.41
▸ JAK2 O60674 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ RET P07949 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FER P16591 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ FRK P42685 1/20 0.35
▸ SYK P43405 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
SCHEMBL26969382 0.87 MAP3K14 (0.40) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29604716 0.87 MAP3K14 (0.40) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29605779 0.87 MAP3K14 (0.40) MAP3K14SMN1; SMN2RAB9ANPC1OPRM1
SCHEMBL29605217 0.81 MAP3K14 (0.50) MAP3K14SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29604666 0.78 MAP3K14 (0.48) MAP3K14SMN1; SMN2RAB9APKD1ALDH1A1
SCHEMBL29604896 0.71 MAP3K14 (0.41) MAP3K14IRAK4SMN1; SMN2RAB9ANPC1
SCHEMBL26643948 0.71 MAP3K14 (0.40) MAP3K14ABL1PKD1
SCHEMBL26643943 0.71 MAP3K14 (0.40) MAP3K14ABL1PKD1
SCHEMBL26643945 0.70 MAP3K14 (0.40) MAP3K14
SCHEMBL26643951 0.70 MAP3K14 (0.40) MAP3K14

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
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