SCHEMBL4728338

SCHEMBL4728338

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC3CCCCN3C)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.39
BRAF P15056 7/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
DRD3 P35462 1/20 0.39
MAPK14 Q16539 5/20 0.37
HSPB1 P04792 1/20 0.37
LYN P07948 1/20 0.37
EPHA3 P29320 1/20 0.37
FRK P42685 1/20 0.37
IKBKB O14920 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MCHR1 Q99705 2/20 0.36

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
SCHEMBL4730519 0.91 ABCG2 (0.45) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4725979 0.89 MAPK14 (0.43) RAF1BRAFMAPK14HSPB1LYN
SCHEMBL4728336 0.85 MAPK14 (0.39) RAF1BRAFMAPK14
SCHEMBL4783017 0.85 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL4728099 0.85 RAF1 (0.41) RAF1BRAFMAPK14HSPB1LYN
SCHEMBL4727320 0.85 CNR2 (0.42) RAF1BRAFMAPK14
SCHEMBL4727004 0.85 RAF1 (0.43) RAF1BRAFMAPK14
SCHEMBL4730324 0.84 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4728030 0.84 MAPK14 (0.42) RAF1BRAFMAPK14
SCHEMBL4726017 0.84 CCNT1 (0.41) RAF1BRAFMAPK14

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