SCHEMBL4726702

SCHEMBL4726702

COc1c(Br)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCC(C)(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
POLQ O75417 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
F7 P08709 2/20 0.36
F2 P00734 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
RAF1 P04049 10/20 0.36
BRAF P15056 10/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHA3 P29320 1/20 0.35

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
SCHEMBL4728030 0.88 MAPK14 (0.42) PTPN1POLQMAPTTP53SMN1; SMN2
SCHEMBL4730567 0.87 TRPV1 (0.40) POLQMAPTTP53SMN1; SMN2TRPV1
SCHEMBL4725075 0.86 F7 (0.35) POLQMAPTTP53SMN1; SMN2F7
SCHEMBL4781974 0.84 PSEN1 (0.39) POLQTRPV1RAF1BRAFMAPK14
SCHEMBL4780832 0.84 LMNA (0.42) MAPTRAF1BRAF
SCHEMBL4780311 0.84 KDM4E (0.38) MAPTTRPV1RAF1BRAFMEN1
SCHEMBL4729468 0.83 RAF1 (0.36) RAF1BRAF
SCHEMBL4726226 0.83 RAF1 (0.46) TP53SMN1; SMN2TRPV1RAF1BRAF
SCHEMBL4784063 0.83 RAF1 (0.36) POLQRAF1BRAF
SCHEMBL14293721 0.82 POLQ (0.34) POLQTRPV1RAF1BRAF

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