SCHEMBL16620101

SCHEMBL16620101

Cc1cc(-c2n[nH]c3cc4[nH]c(=O)c(C(CO)c5ccccc5)cc4c(C(c4ccccc4)(c4ccccc4)c4ccccc4)c23)ccn1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 18/20 0.54
CYP3A4 P08684 1/20 0.42

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
SCHEMBL16213542 0.83 MAPK1 (0.61) MAPK1CYP3A4
SCHEMBL16619996 0.83 MAPK1 (0.78) MAPK1CYP3A4
SCHEMBL16213534 0.82 MAPK1 (0.69) MAPK1
SCHEMBL16619917 0.80 MAPK1 (0.46) MAPK1
SCHEMBL18024550 0.75 MAPK1 (0.80) MAPK1
SCHEMBL18024765 0.73 MAPK1 (0.80) MAPK1CYP3A4
SCHEMBL17986627 0.73 MAPK1 (0.53) MAPK1
SCHEMBL16213348 0.72 MAPK1 (0.58) MAPK1
SCHEMBL19223415 0.71 MAPK1 (1.00) MAPK1CYP3A4
SCHEMBL16620235 0.71 MAPK1 (1.00) MAPK1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
WO-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 WO disclosed