SCHEMBL7894963

SCHEMBL7894963

Cc1cccc(CNc2nc(NCc3ccccc3)nc(NC[C@H]3CC[C@H](C(C)=O)CC3)n2)c1C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 20/20 0.52

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
SCHEMBL7886819 0.93 VCP (0.58) VCP
SCHEMBL7886664 0.82 VCP (0.54) VCP
SCHEMBL7896436 0.82 VCP (0.51) VCP
SCHEMBL7893630 0.76 MEN1 (0.44) VCP
Acetic Acid SCHEMBL29049224 0.64 HSD17B10 (0.56) —
Acetic Acid SCHEMBL27637376 0.64 GAA (0.66) —
SCHEMBL25377223 0.63 PKM (0.53) —
Bicarbonate SCHEMBL29049243 0.63 HSD17B10 (0.58) —
SCHEMBL3789793 0.63 P2RX7 (0.47) —
SCHEMBL11217670 0.63 CXCR4 (0.56) VCP

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
WO-2010085246-A1 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS PRAECIS PHARMACEUTICALS INC (US) 2010-07-29 — — WO disclosed
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