SCHEMBL8682718

SCHEMBL8682718

O=C(O)c1ccc2[nH]nc(CCCNc3ccccn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.44
▸ MAPK3 P27361 2/20 0.44
▸ KDM4D Q6B0I6 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ ITGB3 P05106 2/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ HCAR3 P49019 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ MAP2K4 P45985 3/20 0.38
▸ MAPKAPK3 Q16644 2/20 0.38
▸ MAPK6 Q16659 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HAO1 Q9UJM8 1/20 0.38

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 0.86 RAB9A (0.46) MAPK1MAPK3
SCHEMBL16607505 0.75 ALDH1A1 (0.53) KDM4DITGB3ITGAVHCAR3CYP1A2
SCHEMBL4958032 0.75 CSNK2A2 (0.43) KDM4DCSNK2A2CSNK2BCSNK2A1ITGB3
SCHEMBL1144988 0.72 KDM4E (0.50) MAPK1JAK2JAK1MAP2K4MAPKAPK3
SCHEMBL6753577 0.72 MAP2K4 (0.43) MAPK1MAPK3CSNK2A2CSNK2BCSNK2A1
SCHEMBL7982819 0.72 ITGB3 (0.60) ITGB3ITGAV
SCHEMBL8682713 0.72 MAPK1 (0.42) MAPK1MAPK3HCAR3JAK2JAK1
SCHEMBL8682545 0.71 F2 (0.37) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL2861172 0.70 LRRK2 (0.61) MAPK1MAPK3JAK2JAK1MAP2K4
SCHEMBL15172582 0.70 MAP2K4 (0.47) MAPK1MAPK3JAK2JAK1MAP2K4

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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