SCHEMBL23889701

SCHEMBL23889701

Cc1cc(Nc2nc(NC3C[C@@H]4CC[C@@H](C3)N4C(=O)CN(C)C)nc3ccccc23)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.66
▸ TYK2 P29597 7/20 0.66
▸ JAK3 P52333 7/20 0.66
▸ JAK1 P23458 6/20 0.66
▸ AURKA O14965 3/20 0.53
▸ SRC P12931 2/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ NTRK1 P04629 8/20 0.49
▸ AURKB Q96GD4 1/20 0.48

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
SCHEMBL23879140 1.00 JAK2 (0.66) JAK2TYK2JAK3JAK1AURKA
SCHEMBL22054021 1.00 JAK2 (0.66) JAK2TYK2JAK3JAK1AURKA
SCHEMBL22054006 0.90 TYK2 (0.60) JAK2TYK2JAK3JAK1AURKA
SCHEMBL22054221 0.90 JAK2 (0.55) JAK2TYK2JAK3JAK1AURKA
SCHEMBL23878992 0.89 AURKA (0.59) JAK2TYK2JAK3JAK1AURKA
SCHEMBL30255661 0.88 AURKA (0.58) JAK2TYK2JAK3JAK1AURKA
SCHEMBL24995303 0.86 TYK2 (0.57) JAK2TYK2JAK3JAK1AURKA
SCHEMBL22055383 0.86 JAK2 (0.57) JAK2TYK2JAK3JAK1
SCHEMBL23878951 0.86 TYK2 (0.57) JAK2TYK2JAK3JAK1GSK3B
SCHEMBL23879060 0.86 JAK2 (0.57) JAK2TYK2JAK3JAK1

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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