SCHEMBL19670557

SCHEMBL19670557

C=C(O)N(C(=O)Nc1cncc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KMO O15229 2/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ CFTR P13569 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ SLC1A3 P43003 2/20 0.35
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ XDH P47989 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
SCHEMBL19365489 0.83 ALOX15 (0.48) PIK3CDPIK3CAPIK3CGKMOCA2
SCHEMBL19670289 0.83 BRAF (0.42) PIK3CDPIK3CAPIK3CGKMOCA12
SCHEMBL19670603 0.82 POLB (0.43) PIK3CDPIK3CAPIK3CGKMOKIF11
SCHEMBL19365841 0.81 PIK3CD (0.36) PIK3CDPIK3CAPIK3CGKMOKIF11
SCHEMBL19365429 0.73 POLB (0.36) —
SCHEMBL19706132 0.72 TRPV3 (0.35) —
SCHEMBL19365509 0.72 PHGDH (0.38) PIK3CDPIK3CAPIK3CGKMODHODH
SCHEMBL19365519 0.71 POLB (0.46) KIF11MEN1KMT2AMAPT
SCHEMBL19365506 0.70 UBE2M (0.41) KIF11FYNMEN1KMT2AMAPT
SCHEMBL19365636 0.70 POLB (0.46) PIK3CDPIK3CAPIK3CGKMOKIF11

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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