SCHEMBL24175361

SCHEMBL24175361

CC1CC2CC(CC(C)(O)C2)C1Nc1nc(Nc2cc(CO)[nH]n2)cc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.45
▸ JAK3 P52333 20/20 0.45
▸ JAK2 O60674 16/20 0.45
▸ JAK1 P23458 16/20 0.45
▸ P2RX3 P56373 1/20 0.44
▸ P2RX2 Q9UBL9 1/20 0.44

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
SCHEMBL24175598 0.94 TYK2 (0.47) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24174757 0.91 JAK3 (0.53) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24170322 0.87 TYK2 (0.47) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30340402 0.87 TYK2 (0.47) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175068 0.87 TYK2 (0.42) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175580 0.83 TYK2 (0.38) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24174760 0.82 TYK2 (0.34) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175077 0.82 JAK3 (0.54) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175323 0.82 TYK2 (0.50) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30340816 0.82 TYK2 (0.50) TYK2JAK3JAK2JAK1P2RX3

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-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 — — WO disclosed
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