SCHEMBL6744647

SCHEMBL6744647

Cc1c(F)cc(-c2cnccc2-c2cccc(F)c2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 16/20 0.63
SLC22A12 Q96S37 1/20 0.51
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
CYP11B2 P19099 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL6744643 0.85 RPS6KA3 (0.56) RPS6KA3SLC22A12RPS6KA2RPS6KA1CYP11B2
SCHEMBL6736797 0.82 SLC22A12 (0.58) RPS6KA3SLC22A12CYP17A1GSK3B
SCHEMBL7396409 0.80 SLC22A12 (0.57) RPS6KA3SLC22A12CYP11B2CYP17A1CYP3A4
SCHEMBL7545909 0.79 SLC22A12 (0.57) RPS6KA3SLC22A12
SCHEMBL7045431 0.76 RPS6KA3 (0.55) RPS6KA3CYP17A1
SCHEMBL6719208 0.75 SLC22A12 (0.50) RPS6KA3SLC22A12CYP11B2CYP17A1CYP3A4
SCHEMBL7396406 0.73 SLC22A12 (0.54) RPS6KA3SLC22A12CYP11B2CYP17A1CYP3A4
SCHEMBL6727975 0.73 RPS6KA3 (0.69) RPS6KA3SLC22A12CYP17A1
SCHEMBL20365105 0.73 SLC22A12 (0.50) RPS6KA3SLC22A12CYP11B2CYP17A1CYP3A4
SCHEMBL20371450 0.73 SLC22A12 (0.53) RPS6KA3SLC22A12CYP11B2CYP17A1CYP3A4

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-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed