SCHEMBL24170331

SCHEMBL24170331

Cc1cc(Nc2cc3ncccc3c(NC3C4CC5CC3CC(O)(C5)C4)n2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.56
▸ TYK2 P29597 19/20 0.56
▸ JAK2 O60674 14/20 0.56
▸ JAK1 P23458 14/20 0.55
▸ P2RX3 P56373 1/20 0.55
▸ P2RX2 Q9UBL9 1/20 0.55

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
SCHEMBL24175542 1.00 JAK3 (0.56) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL30340362 1.00 JAK3 (0.56) JAK3TYK2JAK2JAK1P2RX3
Trifluoroacetic Acid SCHEMBL28978706 0.93 JAK3 (0.54) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL30340816 0.91 TYK2 (0.50) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24175323 0.91 TYK2 (0.50) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24175362 0.90 JAK3 (0.55) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL30340402 0.90 TYK2 (0.47) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24170322 0.90 TYK2 (0.47) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24174456 0.90 JAK3 (0.57) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24170321 0.88 TYK2 (0.45) JAK3TYK2JAK2JAK1P2RX3

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-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 — — CN disclosed
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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