SCHEMBL4729070

SCHEMBL4729070

CCN1CCCC1CNC(=O)c1ccc(-c2cc(NC(=O)c3cc(C#N)cc(C(C)(C)C)c3)cnc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 2/20 0.42
MCHR2 Q969V1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
RAF1 P04049 7/20 0.40
BRAF P15056 7/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK14 Q16539 2/20 0.40
EPHA3 P29320 1/20 0.40
FRK P42685 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4728099 0.90 RAF1 (0.41) IKBKBRAF1BRAFMAPK14EPHA3
SCHEMBL4730519 0.86 ABCG2 (0.45) ABCG2KDM4EALDH1A1
SCHEMBL4729072 0.85 RAF1 (0.43) RAF1BRAFEGLN1
SCHEMBL4725920 0.83 EGLN1 (0.48) MAPK14EGLN1MEN1KMT2ASMN1; SMN2
SCHEMBL4727468 0.83 MAPK14 (0.47) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4730006 0.82 RAF1 (0.43) RAF1BRAF
SCHEMBL4726798 0.82 RAF1 (0.42) RAF1BRAF
SCHEMBL4880516 0.82 RAF1 (0.52) IKBKBHSD17B10RAF1BRAFMAPK14
SCHEMBL4727842 0.81 RAF1 (0.45) RAF1BRAF
SCHEMBL14293640 0.81 RAF1 (0.51) IKBKBHSD17B10RAF1BRAFMAPK14

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