SCHEMBL4726240

SCHEMBL4726240

COc1c(NC(=O)[C@H]2CCCN2)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC(C)(C)C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.35
BRAF P15056 14/20 0.35
EPHA3 P29320 1/20 0.34
FRK P42685 1/20 0.34
MAPK14 Q16539 1/20 0.34
F7 P08709 2/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
F2 P00734 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
POLQ O75417 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4726266 1.00 RAF1 (0.35) RAF1BRAFEPHA3FRKMAPK14
SCHEMBL4726190 0.89 RAF1 (0.34) RAF1BRAFEPHA3FRKMAPK14
SCHEMBL4726702 0.81 PTPN1 (0.38) RAF1BRAFEPHA3FRKMAPK14
SCHEMBL4728030 0.79 MAPK14 (0.42) RAF1BRAFMAPK14POLQ
SCHEMBL4725075 0.79 F7 (0.35) RAF1BRAFF7F2F9
SCHEMBL4730567 0.79 TRPV1 (0.40) RAF1BRAFF7F2F9
SCHEMBL4729468 0.78 RAF1 (0.36) RAF1BRAF
SCHEMBL4781974 0.78 PSEN1 (0.39) RAF1BRAFMAPK14POLQ
SCHEMBL4784063 0.76 RAF1 (0.36) RAF1BRAFPOLQ
SCHEMBL4780832 0.76 LMNA (0.42) 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