SCHEMBL23889388

SCHEMBL23889388

Cc1cc(Nc2cc3nccn3c(N[C@H]3CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C3)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.41
▸ JAK3 P52333 18/20 0.41
▸ JAK1 P23458 16/20 0.41
▸ JAK2 O60674 16/20 0.41
▸ P2RX3 P56373 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ RET P07949 1/20 0.36
▸ SYK P43405 1/20 0.35

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
SCHEMBL22054133 0.85 JAK3 (0.48) TYK2JAK3JAK1JAK2
SCHEMBL23879013 0.85 JAK3 (0.48) TYK2JAK3JAK1JAK2
SCHEMBL23889532 0.83 EIF2AK4 (0.41) JAK3JAK1JAK2
SCHEMBL23889370 0.75 PLK4 (0.37) TYK2JAK3JAK1JAK2SYK
SCHEMBL23889522 0.73 PAK1 (0.46) TYK2JAK3JAK1JAK2RET
SCHEMBL23889440 0.73 NTRK1 (0.45) TYK2JAK3JAK1JAK2
SCHEMBL23889360 0.72 TYK2 (0.50) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL23878776 0.72 TYK2 (0.65) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL22055017 0.72 TYK2 (0.65) TYK2JAK3JAK1JAK2P2RX3
SCHEMBL24174490 0.72 JAK3 (0.43) 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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