SCHEMBL807472

SCHEMBL807472

C=Cc1ccc(CN2CC(C)CC(NC(=O)N3CCc4[nH]nc(-c5ccnc(C)c5)c4C3)C2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL10212376 0.89 PIP5K1C (0.45)
SCHEMBL15065414 0.84
SCHEMBL15065500 0.83
SCHEMBL15065068 0.83 PIP5K1C (0.44)
SCHEMBL807471 0.82
SCHEMBL15065565 0.82 PIP5K1C (0.45)
SCHEMBL806814 0.80
SCHEMBL806811 0.80
SCHEMBL806922 0.79 MAPK1 (0.55) MAPK1
SCHEMBL806810 0.79

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-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed