SCHEMBL4725979

SCHEMBL4725979

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC3CCN(C)CC3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.43
EGLN1 Q9GZT9 4/20 0.43
EPHA3 P29320 1/20 0.42
FRK P42685 1/20 0.42
NAMPT P43490 2/20 0.41
RAF1 P04049 2/20 0.39
CETP P11597 1/20 0.39
BRAF P15056 1/20 0.39
HSPB1 P04792 1/20 0.39
LYN P07948 1/20 0.39
HDAC4 P56524 1/20 0.39
ROCK2 O75116 1/20 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
SCHEMBL4726017 0.90 CCNT1 (0.41) MAPK14EGLN1RAF1BRAF
SCHEMBL4728338 0.89 RAF1 (0.39) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4730519 0.87 ABCG2 (0.45)
SCHEMBL4782731 0.86 RAF1 (0.39) MAPK14RAF1BRAF
SCHEMBL4725975 0.86 MAPK14 (0.41) MAPK14EGLN1RAF1BRAF
SCHEMBL4730324 0.85 MAPK14 (0.42) MAPK14RAF1BRAF
SCHEMBL4728030 0.85 MAPK14 (0.42) MAPK14RAF1BRAF
SCHEMBL4725924 0.85 MAPK14 (0.43) MAPK14RAF1BRAF
SCHEMBL4725981 0.84 MAPK14 (0.42) MAPK14RAF1BRAF
SCHEMBL4726042 0.84 MAPK14 (0.42) MAPK14EGLN1RAF1BRAF

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed