SCHEMBL2567751

SCHEMBL2567751

C[C@H](O)CONC(=O)Oc1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.63
KCNH2 Q12809 2/20 0.48
MAP2K2 P36507 4/20 0.42
BRAF P15056 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K5 Q13163 1/20 0.42
PRKCZ Q05513 1/20 0.40
IARS2 Q9NSE4 1/20 0.40

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
SCHEMBL2568830 1.00 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2568879 1.00 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2563969 0.91 MAP2K1 (0.77) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2565216 0.87 MAP2K1 (0.75) MAP2K1KCNH2MAP2K2
SCHEMBL2565494 0.87 MAP2K1 (0.59) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2568326 0.86 MAP2K1 (0.83) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2560086 0.86 MAP2K1 (0.83) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2565628 0.86 MAP2K1 (0.83) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL2566733 0.86 MAP2K1 (0.61) MAP2K1KCNH2MAP2K2
SCHEMBL2567945 0.85 MAP2K1 (0.57) MAP2K1KCNH2MAP2K2PRKCZIARS2

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
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP claimed