SCHEMBL4729468

SCHEMBL4729468

COc1c(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)cc1C1=CONC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 20/20 0.36
BRAF P15056 17/20 0.36

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
SCHEMBL4725075 0.84 F7 (0.35) RAF1BRAF
SCHEMBL4726702 0.83 PTPN1 (0.38) RAF1BRAF
SCHEMBL4730567 0.82 TRPV1 (0.40) RAF1BRAF
SCHEMBL4728030 0.81 MAPK14 (0.42) RAF1BRAF
SCHEMBL4781974 0.80 PSEN1 (0.39) RAF1BRAF
SCHEMBL4784063 0.78 RAF1 (0.36) RAF1BRAF
SCHEMBL4726240 0.78 RAF1 (0.35) RAF1BRAF
SCHEMBL4726266 0.78 RAF1 (0.35) RAF1BRAF
SCHEMBL4780832 0.78 LMNA (0.42) RAF1BRAF
SCHEMBL4780311 0.78 KDM4E (0.38) RAF1BRAF

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