SCHEMBL4780195

SCHEMBL4780195

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.49
BRAF P15056 18/20 0.49
PLAU P00749 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL4781167 0.88 MAPK14 (0.47) RAF1BRAFPLAUMAPK14
SCHEMBL4728307 0.86 RAF1 (0.45) RAF1BRAFPLAUMAPK14
SCHEMBL4779979 0.85 MAPK14 (0.48) RAF1BRAFPLAUMAPK14
SCHEMBL4783679 0.85 MAPK14 (0.48) RAF1BRAFPLAUMAPK14
SCHEMBL4780448 0.84 RAF1 (0.43) RAF1BRAFPLAUMAPK14
SCHEMBL4781705 0.83 BRAF (0.49) RAF1BRAFMAPK14
SCHEMBL4778221 0.82 RAF1 (0.43) RAF1BRAFPLAUMAPK14
SCHEMBL4781361 0.82 ACKR3 (0.45) RAF1BRAFPLAUMAPK14
SCHEMBL4782138 0.81 RAF1 (0.42) RAF1BRAFPLAUMAPK14
SCHEMBL15074587 0.80 PLAU (0.57) RAF1BRAFPLAUMAPK14

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