SCHEMBL19670289

SCHEMBL19670289

C=C(O)N(C(=O)Nc1cccc(-c2cnco2)c1)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.42
▸ RHOA P61586 1/20 0.41
▸ FYN P06241 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ EPHB4 P54760 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
SCHEMBL19670557 0.83 PIK3CD (0.38) FYNTP53MAPTMAPK1LCK
SCHEMBL19365833 0.82 RHOA (0.43) BRAFRHOAFYNCASRTP53
SCHEMBL19706136 0.82 RHOA (0.43) BRAFRHOAFYNCASRTP53
SCHEMBL19670403 0.82 BRAF (0.39) BRAFRHOAFYNJAK3MAP4K4
SCHEMBL19365806 0.80 RHOA (0.42) BRAFRHOAFYNCASRLCK
SCHEMBL19365489 0.79 ALOX15 (0.48) FYNMAP4K4LCKCA2CA9
SCHEMBL19365712 0.79 RHOA (0.44) BRAFRHOAFYNMAP4K4MAPT
SCHEMBL19365619 0.77 KMO (0.37) BRAFRHOAMAP4K4CA2CA9
SCHEMBL19365558 0.76 KDR (0.40) BRAFRHOAFYNLCKPIK3CD
SCHEMBL19365843 0.73 RHOA (0.39) BRAFRHOACASRLCKCA2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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