SCHEMBL21552045

SCHEMBL21552045

O=C1COc2c(cc(Cl)c(Br)c2F)N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.42
NR3C2 P08235 6/20 0.42
NR3C1 P04150 4/20 0.42
IL4I1 Q96RQ9 1/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
AR P10275 1/20 0.37
MMP12 P39900 1/20 0.36
ACLY P53396 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL8191716 0.80 PDE3B (0.41) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL25277194 0.79 PGR (0.41) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL27433477 0.79 PDE3B (0.44) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL4290482 0.78 IL4I1 (0.44) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL30183935 0.74 PDE3B (0.36) PGRNR3C2NR3C1PDE3BPDE3A
SCHEMBL23591044 0.74 PDE3B (0.36) PGRNR3C2NR3C1PDE3BPDE3A
SCHEMBL4480236 0.73 PDE3B (0.41) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL21552373 0.73 PGR (0.45) PGRNR3C2NR3C1IL4I1PDE3B
SCHEMBL4102483 0.73 NR3C2 (0.45) PGRNR3C2NR3C1PDE3BPDE3A
SCHEMBL29939223 0.73 NR3C2 (0.45) PGRNR3C2NR3C1PDE3BPDE3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790551-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-17 EP disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed