SCHEMBL4728307

SCHEMBL4728307

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.45
BRAF P15056 10/20 0.45
PLAU P00749 1/20 0.43
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL4780448 0.94 RAF1 (0.43) RAF1BRAFPLAUMAPK14
SCHEMBL4779581 0.93 MAPK14 (0.39) RAF1BRAFPLAUMAPK14
SCHEMBL4781343 0.91 BRAF (0.53) RAF1BRAF
SCHEMBL4782030 0.91 PLAU (0.47) RAF1BRAFPLAUMAPK14
SCHEMBL4727546 0.91 RAF1 (0.36) RAF1BRAFPLAUMAPK14
SCHEMBL4778221 0.89 RAF1 (0.43) RAF1BRAFPLAUMAPK14MAPK13
SCHEMBL4781167 0.88 MAPK14 (0.47) RAF1BRAFPLAUMAPK14MAPK13
SCHEMBL4783679 0.86 MAPK14 (0.48) RAF1BRAFPLAUMAPK14MAPK13
SCHEMBL4780195 0.86 RAF1 (0.49) RAF1BRAFPLAUMAPK14
SCHEMBL4783075 0.86 PLAU (0.42) RAF1BRAFPLAUMAPK14MAPK13

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