SCHEMBL8682713

SCHEMBL8682713

CCC(Nc1ccccn1)c1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 13/20 0.42
▸ MAPK3 P27361 2/20 0.40
▸ MAP2K4 P45985 3/20 0.39
▸ MAPKAPK3 Q16644 2/20 0.39
▸ MAPK6 Q16659 2/20 0.39
▸ HCAR3 P49019 2/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8684065 0.88 RAB9A (0.47) MAPK1MAPK3ALDH1A1KDM4EHTT
SCHEMBL8682718 0.72 MAPK1 (0.44) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL4898881 0.71 MAP2K4 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6HCAR3
SCHEMBL29690554 0.71 MAP2K4 (0.45) MAPK1MAP2K4MAPKAPK3MAPK6HCAR3
SCHEMBL7416496 0.71 TTK (0.40) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL8682542 0.71 TTK (0.35) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL2861172 0.70 LRRK2 (0.61) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL2866791 0.67 MAP2K4 (0.69) MAPK1MAPK3MAP2K4MAPKAPK3MAPK6
SCHEMBL1144846 0.66 MAP2K4 (0.50) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL27623663 0.66 KDR (0.58) JAK2

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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