SCHEMBL5318100

SCHEMBL5318100

CC(Cc1cccc(CO)c1)Nc1nccc(N(c2cccc(-c3cccc(F)c3)n2)S(C)(=O)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.38
▸ IDH1 O75874 2/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ KDR P35968 3/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ JMJD1C Q15652 1/20 0.33
▸ KDM3B Q7LBC6 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL5262710 0.89 EPHB4 (0.42) CAMK2DCNR2MAP4K4MAPKAPK2KMO
SCHEMBL5913998 0.89 EPHB4 (0.42) CAMK2DCNR2MAP4K4MAPKAPK2KMO
SCHEMBL5266372 0.80 EPHB4 (0.44) EPHB4DYRK1BKDRMAPK14
SCHEMBL5317588 0.79 CAMK2D (0.38) CAMK2DIDH1CNR2MAP4K4MAPKAPK2
SCHEMBL5315516 0.75 MAPK14 (0.38) IDH1KDRMAPK14MAPK1
SCHEMBL5914384 0.71 CFD (0.41) CAMK2DIDH1EPHB4DYRK1BKDR
SCHEMBL5914162 0.70 HPGDS (0.40) IDH1KDRMAPK14MAPK1
SCHEMBL5914169 0.70 HPGDS (0.40) IDH1KDRMAPK14MAPK1
SCHEMBL5317833 0.69 KDR (0.40) EPHB4KDRMAPK14
SCHEMBL5314939 0.69 KDR (0.40) EPHB4KDRMAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO disclosed
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