SCHEMBL4781741

SCHEMBL4781741

COc1c(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)cc1-n1cc(CNC2CC2)nn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.34
BRAF P15056 12/20 0.34
MAPK14 Q16539 3/20 0.34
CYP2C9 P11712 2/20 0.34
BUB1 O43683 1/20 0.34
PRKACG P22612 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPK11 Q15759 1/20 0.34
ACSL5 Q9ULC5 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
EPHA3 P29320 1/20 0.33
FRK P42685 1/20 0.33
ABCB1 P08183 1/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
POLQ O75417 1/20 0.32

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) RAF1BRAFABCB1POLQ
SCHEMBL4844549 0.90 RAF1 (0.34) RAF1BRAFABCB1
SCHEMBL4780774 0.88 TRPV1 (0.34) RAF1BRAFABCB1
SCHEMBL4780489 0.87 ABL1 (0.40) RAF1BRAFABCB1
SCHEMBL4780311 0.82 KDM4E (0.38) RAF1BRAF
SCHEMBL4781974 0.81 PSEN1 (0.39) RAF1BRAFMAPK14POLQ
SCHEMBL4780832 0.79 LMNA (0.42) RAF1BRAF
SCHEMBL4726702 0.79 PTPN1 (0.38) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL14293721 0.77 POLQ (0.34) RAF1BRAFPOLQ
SCHEMBL4728030 0.77 MAPK14 (0.42) RAF1BRAFMAPK14POLQ

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