SCHEMBL26394484

SCHEMBL26394484

CNc1ccc(-c2ccc3[nH]nc(NC)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.49
▸ JAK3 P52333 6/20 0.49
▸ PLK4 O00444 5/20 0.49
▸ DAPK3 O43293 5/20 0.49
▸ CDK1 P06493 5/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ TYK2 P29597 5/20 0.49
▸ CLK2 P49760 5/20 0.49
▸ CDK5 Q00535 5/20 0.49
▸ DYRK1A Q13627 5/20 0.49
▸ PKN2 Q16513 5/20 0.49
▸ AURKB Q96GD4 5/20 0.49
▸ CLK4 Q9HAZ1 5/20 0.49
▸ DYRK3 O43781 4/20 0.49
▸ SGK2 Q9HBY8 4/20 0.49
▸ MAPK12 P53778 3/20 0.49
▸ ROCK2 O75116 3/20 0.49
▸ MAP4K4 O95819 3/20 0.49
▸ MARK3 P27448 3/20 0.49
▸ PRKCD Q05655 3/20 0.49

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
SCHEMBL26394395 0.82 MAP2K4 (0.55) JAK2JAK3PLK4DAPK3CDK1
SCHEMBL26394712 0.77 GSK3B (0.51) JAK2JAK3PLK4DAPK3CDK1
SCHEMBL26393486 0.77 HDAC6 (0.50) JAK2JAK3TYK2GSK3BCCNC
SCHEMBL7214763 0.76 FADS1 (0.56) GSK3BMAPK1CCNCCDK8FADS1
SCHEMBL26394241 0.76 HDAC6 (0.48) JAK2JAK3PLK4DAPK3CDK1
SCHEMBL13810908 0.76 PDPK1 (0.54) JAK2JAK3PLK4DYRK1AAURKB
SCHEMBL12056341 0.75 GRM4 (0.44) JAK2JAK3PLK4CDK1CDK2
SCHEMBL26394420 0.75 JAK2 (0.66) JAK2JAK3PLK4DAPK3CDK1
SCHEMBL21656763 0.75 GSK3B (0.44) JAK2JAK3PLK4DAPK3CDK1
SCHEMBL4007120 0.75 GSK3B (0.69) JAK2ROCK2ROCK1GSK3BAURKA

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-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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