SCHEMBL23889557

SCHEMBL23889557

Cc1cc(Nc2cc3nccn3c(NC[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.53
▸ JAK3 P52333 17/20 0.53
▸ JAK1 P23458 13/20 0.53
▸ JAK2 O60674 12/20 0.53
▸ RET P07949 1/20 0.34
▸ AURKA O14965 1/20 0.33

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
SCHEMBL24995625 0.89 TYK2 (0.63) TYK2JAK3JAK1JAK2
SCHEMBL23878776 0.89 TYK2 (0.65) TYK2JAK3JAK1JAK2
SCHEMBL22055017 0.89 TYK2 (0.65) TYK2JAK3JAK1JAK2
SCHEMBL22055329 0.80 TYK2 (0.52) TYK2JAK3JAK1JAK2
SCHEMBL24995456 0.79 TYK2 (0.63) TYK2JAK3JAK1JAK2
SCHEMBL22055014 0.79 TYK2 (0.63) TYK2JAK3JAK1JAK2
SCHEMBL23879081 0.79 TYK2 (0.63) TYK2JAK3JAK1JAK2
SCHEMBL23889710 0.78 TYK2 (0.52) TYK2JAK3JAK1JAK2
SCHEMBL24174461 0.77 JAK3 (0.43) TYK2JAK3JAK1JAK2RET
SCHEMBL24174490 0.77 JAK3 (0.43) TYK2JAK3JAK1JAK2RET

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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