SCHEMBL807207

SCHEMBL807207

O=C(NC1CCNC1)N1CCc2[nH]nc(-c3ccncc3)c2C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.54
MAPK1 P28482 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL10210983 0.94 PIP5K1C (0.52) PIP5K1C
SCHEMBL807342 0.94 PIP5K1C (0.52) PIP5K1C
Trifluoroacetic Acid SCHEMBL15065443 0.89 PIP5K1C (0.47) PIP5K1C
SCHEMBL10211062 0.88 PIP5K1C (0.57) PIP5K1CMAPK1
SCHEMBL807205 0.83 PIP5K1C (0.51) PIP5K1CMAPK1
SCHEMBL806815 0.83 PIP5K1C (0.51) PIP5K1CMAPK1
SCHEMBL807469 0.83 PIP5K1C (0.51) PIP5K1CBRD4CREBBP
SCHEMBL10210906 0.80 MAPK1 (0.58) MAPK1BRD4CREBBP
SCHEMBL15064704 0.79 BRD4 (0.50) PIP5K1CBRD4CREBBP
SCHEMBL15064706 0.79 BRD4 (0.50) PIP5K1CBRD4CREBBP

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