SCHEMBL3244394

SCHEMBL3244394

O=C(O)c1c[nH]c2c(=O)[nH]c3cc(Cl)c(S(=O)(=O)NCC4CC4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
ATM Q13315 1/20 0.36
CNR2 P34972 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
NPY5R Q15761 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
PRKAB2 O43741 6/20 0.33
PRKAG1 P54619 6/20 0.33
PRKAA2 P54646 6/20 0.33

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
SCHEMBL3250055 0.83 POLB (0.43) BCL2L1MCL1NPY5RKMT2AMEN1
SCHEMBL4172113 0.81 CSNK2A2 (0.40) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3244399 0.78 GAA (0.41) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL3245352 0.78 HTR2C (0.42) BCL2L1MCL1KMT2AMEN1ALDH1A1
SCHEMBL3251618 0.77 HTR4 (0.36) ATMCNR2KMT2AMEN1TSHR
SCHEMBL3251461 0.77 KDM4E (0.33) CNR2HSD17B10
SCHEMBL3254879 0.77 PRKAG1 (0.40) MCL1CSNK2A2CSNK2BCSNK2A1KMT2A
SCHEMBL3253927 0.77 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL3253930 0.77 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3250727 0.76 CSNK2A2 (0.32) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed