SCHEMBL4417882

SCHEMBL4417882

Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.59
RAF1 P04049 5/20 0.56
HSPB1 P04792 2/20 0.56
LYN P07948 1/20 0.56
LCK P06239 2/20 0.53
MAP2K1 Q02750 2/20 0.53
BRAF P15056 5/20 0.53
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
CSF1R P07333 1/20 0.51

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
SCHEMBL4413422 0.99 MAPK14 (0.59) MAPK14RAF1HSPB1LYNLCK
SCHEMBL4420764 0.94 BRAF (0.61) MAPK14RAF1HSPB1BRAFMAPK13
SCHEMBL5604341 0.87 MAPK14 (0.43) MAPK14RAF1HSPB1LYNLCK
SCHEMBL4417865 0.84 BRAF (0.47) MAPK14RAF1BRAF
SCHEMBL4410286 0.83 RAF1 (0.49) MAPK14RAF1BRAFCSF1R
SCHEMBL4410231 0.83 BRAF (0.48) MAPK14RAF1BRAF
SCHEMBL5593431 0.82 RAF1 (0.49) MAPK14RAF1BRAFCSF1R
SCHEMBL14473010 0.82 RAF1 (0.45) MAPK14RAF1BRAFCSF1R
SCHEMBL4412866 0.82 RAF1 (0.56) RAF1LYNBRAFCSF1R
SCHEMBL4409531 0.82 RAF1 (0.42) RAF1BRAFCSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed