SCHEMBL2784931

SCHEMBL2784931

CC1(Cc2cncnc2)C(=O)Nc2c(-c3cnc(N)cn3)cc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 10/20 0.39
▸ FEN1 P39748 9/20 0.39
▸ CACNA1B Q00975 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PGR P06401 5/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 1/20 0.35
▸ FYN P06241 1/20 0.34

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
SCHEMBL2784158 0.85 CACNA1B (0.39) CACNA1BPIK3CDPGRNR3C1NR3C2
SCHEMBL2786310 0.80 PGR (0.46) ALOX5APFEN1PIK3CDPGR
SCHEMBL3019210 0.79 PGR (0.55) CACNA1BPIK3CDPGRNR3C1NR3C2
SCHEMBL8052840 0.79 PGR (0.55) CACNA1BPIK3CDPGRNR3C1NR3C2
SCHEMBL2786152 0.77 GRIN1 (0.40) PIK3CDPGR
SCHEMBL3042679 0.75 PIK3CA (0.36) ALOX5APFEN1CACNA1BPIK3CDPGR
SCHEMBL2786464 0.75 PGR (0.39) PIK3CDPGRNR3C1NR3C2AR
SCHEMBL2785852 0.75 PGR (0.41) PIK3CDPGRNR3C1NR3C2AR
SCHEMBL2784455 0.74 PGR (0.40) PIK3CDPGRNR3C1NR3C2AR
SCHEMBL1949443 0.74 CACNA1B (0.42) CACNA1BPIK3CDPGRNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP claimed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
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