SCHEMBL4784063

SCHEMBL4784063

COc1c(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)cc1-n1cc(CO)nn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.36
BRAF P15056 18/20 0.36
ABCB1 P08183 1/20 0.35
POLQ O75417 1/20 0.34

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
SCHEMBL4844549 0.92 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4780774 0.92 TRPV1 (0.34) RAF1BRAFABCB1
SCHEMBL4781741 0.91 RAF1 (0.34) RAF1BRAFABCB1POLQ
SCHEMBL4780489 0.91 ABL1 (0.40) RAF1BRAFABCB1
SCHEMBL4780311 0.86 KDM4E (0.38) RAF1BRAF
SCHEMBL4781974 0.85 PSEN1 (0.39) RAF1BRAFPOLQ
SCHEMBL4780832 0.83 LMNA (0.42) RAF1BRAF
SCHEMBL4726702 0.83 PTPN1 (0.38) RAF1BRAFPOLQ
SCHEMBL14293721 0.81 POLQ (0.34) RAF1BRAFPOLQ
SCHEMBL4728030 0.81 MAPK14 (0.42) RAF1BRAFPOLQ

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