SCHEMBL173944

SCHEMBL173944

CCc1nc(CN2CCOC(C(=O)Nc3ccc4[nH]nc(-c5ccncc5)c4c3)C2)cs1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.49
▸ MAPK3 P27361 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ MAPK6 Q16659 1/20 0.44
▸ PDPK1 O15530 3/20 0.40
▸ LRRK2 Q5S007 2/20 0.38

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
SCHEMBL15021780 0.91 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021916 0.85 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176052 0.84 MAPK1 (0.57) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173759 0.83 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021550 0.82 MAPK1 (0.52) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173256 0.82 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021943 0.81 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021911 0.81 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021560 0.81 MAPK1 (0.51) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176241 0.81 MAPK1 (0.54) MAPK1MAPK3MAP2K2MAP2K1MAPK6

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-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 — — EP disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 — — WO disclosed
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