SCHEMBL30798109

SCHEMBL30798109

COC(=O)C1CC(n2cnc3cnc4c(ccn4S(=O)(=O)c4ccc(C)cc4)c32)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
MMP2 P08253 3/20 0.36
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
ALDH3A1 P30838 1/20 0.35
HTT P42858 1/20 0.35
NOD1 Q9Y239 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ALOX5 P09917 1/20 0.34
ACVR1 Q04771 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL26638292 1.00 JAK1 (0.39) JAK1L3MBTL1MMP2ANPEPALDH1A1
SCHEMBL26638298 0.85 L3MBTL1 (0.38) JAK1L3MBTL1POLBALDH3A1HTT
SCHEMBL29172445 0.85 L3MBTL1 (0.36) JAK1L3MBTL1ALDH1A1KMT2APOLB
SCHEMBL26638303 0.84 L3MBTL1 (0.38) JAK1L3MBTL1POLBALDH3A1HTT
SCHEMBL28621769 0.84 JAK1 (0.52) JAK1L3MBTL1KMT2APOLBJAK2
SCHEMBL30622213 0.84 JAK1 (0.52) JAK1L3MBTL1KMT2APOLBJAK2
SCHEMBL28634235 0.84 JAK1 (0.52) JAK1L3MBTL1KMT2APOLBJAK2
SCHEMBL30622180 0.84 JAK1 (0.52) JAK1L3MBTL1KMT2APOLBJAK2
SCHEMBL28626461 0.84 L3MBTL1 (0.38) JAK1L3MBTL1ALDH1A1POLBALDH3A1
SCHEMBL26638305 0.83 L3MBTL1 (0.37) JAK1L3MBTL1POLBALDH3A1HTT

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
CN-118406052-A Tricyclic JANUS kinase 1 inhibitors and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-30 CN disclosed
CN-113396150-B Tricyclic JANUS kinase 1 inhibitors and compositions and methods thereof 凌科药业(杭州)有限公司 2024-03-12 CN disclosed