SCHEMBL20204679

SCHEMBL20204679

CSc1c[nH]c2c(OCC3CC3)c(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.33
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL20202029 0.80 RIPK1 (0.33) BRD4MAPK1PARP15PARP10CHUK
SCHEMBL20207783 0.80 ALOX5AP (0.32) BRD4PARP15PARP10CHUKALOX5AP
SCHEMBL20207074 0.68 PARP10 (0.45) PARP15PARP10
SCHEMBL20376461 0.66 CYP1A2 (0.38) BRD4ALOX5APFEN1
SCHEMBL21325059 0.66 PDE3B (0.35) PARP15PARP10CHUKALOX5APFEN1
SCHEMBL29037151 0.64 AXL (0.36) PARP15PARP10ALOX5APFEN1
SCHEMBL21690528 0.64 RIPK1 (0.38) PARP15PARP10ALOX5APFEN1
SCHEMBL20204677 0.64 PDE2A (0.37) PARP15PARP10CHUKALOX5APFEN1
SCHEMBL20202028 0.64 PIK3R1 (0.39) KDRALOX5APFEN1
SCHEMBL21325057 0.63 RIPK1 (0.37) ALOX5APFEN1

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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