SCHEMBL23889587

SCHEMBL23889587

Cc1cc(Nc2nc(N[C@@H]3C[C@H]4CC[C@@H](C3)N4C)nc3sccc23)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 4/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ JAK2 O60674 9/20 0.44
▸ TYK2 P29597 8/20 0.44
▸ JAK3 P52333 8/20 0.44
▸ JAK1 P23458 7/20 0.44
▸ BRD4 O60885 6/20 0.42
▸ PAK1 Q13153 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ BRD2 P25440 2/20 0.41
▸ BRD3 Q15059 2/20 0.41

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
SCHEMBL24071645 1.00 PLK4 (0.48) PLK4PAK4JAK2TYK2JAK3
SCHEMBL24996491 0.96 PLK4 (0.47) PLK4PAK4JAK2TYK2JAK3
SCHEMBL22055294 0.92 PLK4 (0.48) PLK4PAK4JAK2TYK2JAK3
SCHEMBL24996503 0.92 PLK4 (0.48) PLK4PAK4JAK2TYK2JAK3
SCHEMBL22053997 0.90 PLK4 (0.48) PLK4PAK4JAK2TYK2JAK3
SCHEMBL23878876 0.88 JAK2 (0.46) PLK4PAK4JAK2TYK2JAK3
SCHEMBL30147204 0.88 TYK2 (0.48) PLK4PAK4JAK2TYK2JAK3
SCHEMBL22055317 0.87 TYK2 (0.59) PLK4PAK4JAK2TYK2JAK3
SCHEMBL22055003 0.87 TYK2 (0.59) PLK4PAK4JAK2TYK2JAK3
SCHEMBL24995391 0.87 TYK2 (0.59) PLK4PAK4JAK2TYK2JAK3

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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