SCHEMBL18360703

SCHEMBL18360703

CN1CC(c2ccccc2)CC(N(N)C(=O)N2CCc3[nH]nc(-c4ccncc4)c3C2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
MAPK1 P28482 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
SCHEMBL807354 0.82 BRD4 (0.49) BRD4CREBBP
SCHEMBL807229 0.72 BRD4 (0.59) BRD4CREBBPMAPK1
SCHEMBL17877208 0.72 BRD4 (0.71) BRD4CREBBPMAPK1
SCHEMBL10801839 0.72 MAPK1 (0.76) BRD4CREBBPMAPK1
SCHEMBL807352 0.72 MAPK1 (0.58) BRD4CREBBPMAPK1
SCHEMBL807469 0.71 PIP5K1C (0.51) BRD4CREBBP
SCHEMBL15065180 0.71 BRD4 (0.49) BRD4CREBBP
SCHEMBL15084434 0.71 BRD4 (0.49) BRD4CREBBP
SCHEMBL15065182 0.71 BRD4 (0.49) BRD4CREBBP
SCHEMBL15065178 0.71 BRD4 (0.49) BRD4CREBBP

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
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed