SCHEMBL31690571

SCHEMBL31690571

COc1cc(Oc2ccnc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)n2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.42
▸ KDR P35968 10/20 0.39
▸ MAPK14 Q16539 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ MET P08581 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ GRM4 Q14833 1/20 0.35

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
SCHEMBL21610194 1.00 AAK1 (0.42) AAK1KDRMAPK14BRAFTNNI3K
SCHEMBL21610156 0.86 KDR (0.42) AAK1KDRMAPK14BRAFTNNI3K
SCHEMBL21611232 0.86 SUV39H2 (0.40) AAK1KDRMAPK14BRAFTNNI3K
SCHEMBL21611230 0.83 AAK1 (0.39) AAK1KDRMAPK14
SCHEMBL21611233 0.79 KDR (0.42) KDRMAPK14BRAFTNNI3KMET
SCHEMBL21610196 0.78 AAK1 (0.45) AAK1KDRMAPK14BRAFTNNI3K
SCHEMBL21610150 0.76 KDR (0.41) AAK1KDRMETKMOGRM4
SCHEMBL21610148 0.76 KDR (0.41) AAK1KDRMETKMOGRM4
SCHEMBL21610191 0.74 ATR (0.44) AAK1
SCHEMBL23927067 0.74 MAPT (0.44) GRM4

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-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 — — EP disclosed
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