SCHEMBL4729375

SCHEMBL4729375

Cc1ncc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.61
RAF1 P04049 13/20 0.60
HSPB1 P04792 2/20 0.60
LYN P07948 1/20 0.60
BRAF P15056 12/20 0.57
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53

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
SCHEMBL4781398 0.99 RAF1 (0.62) MAPK14RAF1HSPB1LYNBRAF
SCHEMBL4782204 0.93 RAF1 (0.69) MAPK14RAF1HSPB1BRAFMAPK13
SCHEMBL20008242 0.80 RAF1 (0.84) RAF1BRAF
SCHEMBL4782241 0.79 RAF1 (0.44) MAPK14RAF1HSPB1LYNBRAF
SCHEMBL4726861 0.78 TEK (0.47) RAF1BRAF
SCHEMBL4729438 0.78 MEN1 (0.54) RAF1BRAF
SCHEMBL4729086 0.78 CYP2C9 (0.47) RAF1BRAF
SCHEMBL4728328 0.77 RAF1 (0.54) MAPK14RAF1BRAF
SCHEMBL4725914 0.77 RAF1 (0.41) RAF1BRAF
SCHEMBL4784220 0.76 MAPK14 (0.42) MAPK14RAF1HSPB1LYNBRAF

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