SCHEMBL807633

SCHEMBL807633

CN1CCC(NC(=O)N2CCc3[nH]nc(-c4ccc5c(c4)CCO5)c3C2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
FLT3 P36888 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
PIP5K1C O60331 1/20 0.47

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
SCHEMBL807491 0.83
SCHEMBL806815 0.82 PIP5K1C (0.51) PIP5K1C
SCHEMBL807205 0.82 PIP5K1C (0.51) PIP5K1C
SCHEMBL806918 0.81
SCHEMBL15065444 0.81 MAPK1 (0.43) PIP5K1C
SCHEMBL15065440 0.81 MAPK1 (0.43) PIP5K1C
SCHEMBL10210846 0.81 MAPK1 (0.43) PIP5K1C
SCHEMBL15065442 0.81 MAPK1 (0.43) PIP5K1C
SCHEMBL807485 0.79
SCHEMBL15065585 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