SCHEMBL23889243

SCHEMBL23889243

Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC([C@H]5C[C@@H](C#N)C5)C[C@H](C3)N4)n2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.66
▸ TYK2 P29597 19/20 0.66
▸ JAK2 O60674 14/20 0.64
▸ JAK1 P23458 14/20 0.64
▸ P2RX3 P56373 1/20 0.58
▸ P2RX2 Q9UBL9 1/20 0.58

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
SCHEMBL22054297 1.00 JAK3 (0.66) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24996732 1.00 JAK3 (0.66) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22054160 1.00 JAK3 (0.66) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24996733 1.00 JAK3 (0.66) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL22055026 0.90 TYK2 (0.63) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24594223 0.87 TYK2 (0.70) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL18269690 0.87 TYK2 (0.70) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL24337003 0.87 TYK2 (0.70) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL21229857 0.87 TYK2 (0.70) JAK3TYK2JAK2JAK1P2RX3
SCHEMBL29707886 0.87 TYK2 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
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