SCHEMBL22054582

SCHEMBL22054582

Cc1cc(Nc2nc(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4CCC#N)nc3cc(-c4cnn(CCF)c4)ccc23)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.56
▸ JAK3 P52333 19/20 0.56
▸ JAK1 P23458 14/20 0.54
▸ JAK2 O60674 9/20 0.52
▸ P2RX3 P56373 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38

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
SCHEMBL22054312 0.97 TYK2 (0.57) TYK2JAK3JAK1JAK2
SCHEMBL23878860 0.97 TYK2 (0.57) TYK2JAK3JAK1JAK2
SCHEMBL22055361 0.93 TYK2 (0.59) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23879075 0.93 TYK2 (0.59) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22054583 0.90 TYK2 (0.46) TYK2JAK3JAK1JAK2
SCHEMBL23879015 0.90 TYK2 (0.60) TYK2JAK3JAK1JAK2
SCHEMBL22054305 0.90 TYK2 (0.60) TYK2JAK3JAK1JAK2
SCHEMBL23878807 0.89 TYK2 (0.59) TYK2JAK3JAK1JAK2
SCHEMBL22054206 0.89 TYK2 (0.59) TYK2JAK3JAK1JAK2
SCHEMBL23878964 0.86 TYK2 (0.63) 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
WO-2020108613-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2020-06-04 — — WO disclosed
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