SCHEMBL5604341

SCHEMBL5604341

Cc1ccc(NCc2ccnc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.43
RAF1 P04049 11/20 0.42
BRAF P15056 11/20 0.42
HSPB1 P04792 1/20 0.42
LYN P07948 1/20 0.42
LCK P06239 1/20 0.39
MAP2K1 Q02750 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
SCHEMBL4417882 0.87 MAPK14 (0.59) MAPK14RAF1BRAFHSPB1LYN
SCHEMBL4413422 0.86 MAPK14 (0.59) MAPK14RAF1BRAFHSPB1LYN
SCHEMBL5601764 0.83 BRAF (0.40) RAF1BRAF
SCHEMBL4420764 0.81 BRAF (0.61) MAPK14RAF1BRAFHSPB1
SCHEMBL4551380 0.78 BRAF (0.46) RAF1BRAF
SCHEMBL4417865 0.76 BRAF (0.47) MAPK14RAF1BRAF
SCHEMBL4410286 0.76 RAF1 (0.49) MAPK14RAF1BRAF
SCHEMBL4410231 0.75 BRAF (0.48) MAPK14RAF1BRAF
SCHEMBL14473010 0.75 RAF1 (0.45) MAPK14RAF1BRAF
SCHEMBL5593431 0.75 RAF1 (0.49) MAPK14RAF1BRAF

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed