SCHEMBL23889546

SCHEMBL23889546

Cc1cc(Nc2cc3nccnc3c(NC3CC4CC[C@@H](C3)N4CCC#N)n2)n[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.78
▸ JAK3 P52333 19/20 0.78
▸ JAK1 P23458 14/20 0.78
▸ JAK2 O60674 12/20 0.78
▸ P2RX3 P56373 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49

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
SCHEMBL30227552 1.00 TYK2 (0.78) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054112 1.00 TYK2 (0.78) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24995440 1.00 TYK2 (0.78) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23878795 1.00 TYK2 (0.78) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24995644 0.97 TYK2 (0.75) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054527 0.89 TYK2 (0.63) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21229638 0.88 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL21574323 0.88 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594577 0.88 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3
Izencitinib SCHEMBL24594552 0.88 TYK2 (1.00) TYK2JAK3JAK1JAK2P2RX3

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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