SCHEMBL3244485

SCHEMBL3244485

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.47
PKM P14618 3/20 0.42
BRAF P15056 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41
PDE3A Q14432 1/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 3/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
AR P10275 1/20 0.39
BACE1 P56817 1/20 0.39
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3250653 0.92 POLB (0.57) POLBPKMBRAFHSD17B10KDM4E
SCHEMBL3254470 0.89 PKM (0.53) POLBPKMBRAFPDE3AMAPT
SCHEMBL3248608 0.88 POLB (0.46) POLBPKMBRAFPDE3AMAPT
SCHEMBL3248975 0.88 POLB (0.49) POLBPKMBRAFHSD17B10KMT2A
SCHEMBL3247955 0.87 PKM (0.54) POLBPKMBRAFHSD17B10KDM4E
SCHEMBL3248967 0.86 PKM (0.47) POLBPKMHSD17B10KDM4EUSP2
SCHEMBL3251084 0.86 MAPT (0.50) POLBPKMBRAFHSD17B10KDM4E
SCHEMBL3249991 0.86 BRD4 (0.50) POLBPKMPDE3AMAPTTP53
SCHEMBL3251303 0.86 PDE3A (0.45) POLBPKMBRAFHSD17B10KDM4E
SCHEMBL3251476 0.85 BRD4 (0.48) POLBMAPTTP53KMT2ALMNA

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 2 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 claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed