SCHEMBL10201780

SCHEMBL10201780

COC(=O)N[C@H](C(=O)N1[C@@H]2CC2C[C@H]1c1nc2ccc(C#Cc3ccc4c(ccc5[nH]c([C@@H]6C[C@H]7C[C@H]7N6C(=O)[C@@H](NC(=O)OC)C6CCOCC6)nc54)c3)cc2[nH]1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32

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
SCHEMBL12373833 1.00 MAPK1 (0.32) MAPK1
SCHEMBL15893404 1.00 MAPK1 (0.32) MAPK1
SCHEMBL19488609 0.95
SCHEMBL12373837 0.95
SCHEMBL12373664 0.94 AAK1 (0.32)
SCHEMBL10202457 0.94 AAK1 (0.32)
SCHEMBL13221476 0.94
SCHEMBL10201774 0.94
SCHEMBL13221539 0.92 MAPK1 (0.32) MAPK1
SCHEMBL12373834 0.91 IL17A (0.31)

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-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed