SCHEMBL806815

SCHEMBL806815

CN1CCC(NC(=O)N2CCc3[nH]nc(-c4ccncc4)c3C2)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.51
MAPK1 P28482 1/20 0.48

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
SCHEMBL807205 1.00 PIP5K1C (0.51) PIP5K1CMAPK1
SCHEMBL10211062 0.87 PIP5K1C (0.57) PIP5K1CMAPK1
SCHEMBL807635 0.86 PIP5K1C (0.48) PIP5K1C
SCHEMBL807354 0.85 BRD4 (0.49) PIP5K1C
SCHEMBL807207 0.83 PIP5K1C (0.54) PIP5K1CMAPK1
SCHEMBL807342 0.82 PIP5K1C (0.52) PIP5K1C
SCHEMBL10210983 0.82 PIP5K1C (0.52) PIP5K1C
SCHEMBL807196 0.82
SCHEMBL807633 0.82 NTRK1 (0.47) PIP5K1C
SCHEMBL807340 0.82

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