SCHEMBL8317356

SCHEMBL8317356

CC(=O)OCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.50
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
PRKACA P17612 9/20 0.47
PRKACG P22612 9/20 0.47
PRKACB P22694 9/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CAMK2D Q13557 4/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
CCNB2 O95067 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
PIM1 P11309 2/20 0.45
GSK3B P49841 2/20 0.45
PRKD1 Q15139 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL8313886 0.89 PRKACA (0.61) RPS6KB1CCNT1CDK9PRKACAPRKACG
SCHEMBL9057654 0.82 RPS6KB1 (0.72) RPS6KB1CCNT1CDK9PRKACAPRKACG
SCHEMBL8314260 0.73 SIRT2 (0.69) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8319736 0.72 CDK4 (0.47) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9374625 0.72 RPS6KB1 (0.77) RPS6KB1CCNT1CDK9PRKACAPRKACG
SCHEMBL28101293 0.71 SIRT2 (0.60) RPS6KB1CCNT1CDK9PRKACAPRKACG
SCHEMBL9375258 0.71 SIRT2 (0.49) SIRT2MEN1TP53MAPTMAPK1
SCHEMBL8316997 0.71 SIRT2 (0.53) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL28101300 0.70 SIRT2 (0.58) RPS6KB1CCNT1CDK9PRKACAPRKACG
SCHEMBL28655141 0.69 PRKACA (0.61) RPS6KB1CCNT1CDK9PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630242-B1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY WELLCOME FOUND (GB) 1999-01-20 EP disclosed
US-5547976-A VIRICIDES, HERPES VIRUS, CYTOMEGALOVIRUS; CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1996-08-20 US disclosed
EP-0630242-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018766-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed