SCHEMBL2307646

SCHEMBL2307646

CN(C)/C=C(/C(=O)O)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLQ O75417 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL2307648 1.00 LMNA (0.44) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL8745973 0.85 LMNA (0.41) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL402156 0.82 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL402157 0.82 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL16207536 0.80 CES2 (0.53) GAACYP11B1CYP11B2
SCHEMBL16207535 0.80 CES2 (0.53) GAACYP11B1CYP11B2
SCHEMBL3171304 0.78 KMT2A (0.44) CYP11B1SMN1; SMN2
SCHEMBL3171296 0.78 KMT2A (0.44) CYP11B1SMN1; SMN2
SCHEMBL9874152 0.78 LMNA (0.43) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL9874146 0.78 LMNA (0.43) LMNAGAACYP11B1CYP11B2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed