SCHEMBL8682336

SCHEMBL8682336

CCOC(=O)c1ccc2[nH]nc(CCCNC3=NCCN3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.46
▸ MAPK1 P28482 3/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ MINK1 Q8N4C8 1/20 0.41
▸ AURKB Q96GD4 1/20 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
SCHEMBL8684069 0.80 RAB9A (0.46) MAPK1HCRTR1KDM4EALDH1A1MEN1
SCHEMBL9485199 0.76 HCRTR1 (0.50) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL9485928 0.75 HCRTR1 (0.52) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL9485102 0.74 HCRTR1 (0.44) MAPK1HCRTR1KDM4EALDH1A1MEN1
SCHEMBL8682497 0.74 KDM4E (0.39) MAPK1HCRTR1KDM4EALDH1A1MEN1
Oxalic Acid SCHEMBL9484406 0.73 HCRTR1 (0.49) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL8682632 0.70 ALDH1A1 (0.56) MAPK1HCRTR1KDM4EALDH1A1MEN1
SCHEMBL4901043 0.69 MEN1 (0.57) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL11749690 0.69 HCRTR1 (0.58) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL17514133 0.68 HCRTR1 (0.57) MAPK1PLK4DAPK3DYRK3JAK2

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
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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