SCHEMBL4780489

SCHEMBL4780489

COc1c(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)cc1-n1cc(CN2CCN(C)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.40
BCR P11274 13/20 0.38
RAF1 P04049 4/20 0.38
BRAF P15056 4/20 0.38
ABCB1 P08183 1/20 0.37
INSR P06213 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL4784063 0.91 RAF1 (0.36) RAF1BRAFABCB1
SCHEMBL4780774 0.87 TRPV1 (0.34) RAF1BRAFABCB1
SCHEMBL4844549 0.87 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4781741 0.87 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4780311 0.81 KDM4E (0.38) RAF1BRAF
SCHEMBL4781974 0.81 PSEN1 (0.39) RAF1BRAF
SCHEMBL4729370 0.79 ABL1 (0.46) ABL1BCRRAF1BRAF
SCHEMBL4780832 0.79 LMNA (0.42) ABL1RAF1BRAF
SCHEMBL4728294 0.79 EGFR (0.40) ABL1RAF1BRAF
SCHEMBL4726702 0.78 PTPN1 (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