SCHEMBL3247734

SCHEMBL3247734

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(Br)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NR4A2 P43354 1/20 0.44
PRNP P04156 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
PIM1 P11309 2/20 0.41
PIM3 Q86V86 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41

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
SCHEMBL3251991 0.84 KDM4E (0.58) CYP1A2HSD17B10KMT2AJAK2CDK5
SCHEMBL3241773 0.84 NGFR (0.49) CYP1A2HSD17B10CYP2C9CYP2C19HIF1A
SCHEMBL3243089 0.84 CYP1A2 (0.45) CYP1A2HSD17B10F7F3
SCHEMBL3248855 0.82 GABRA1 (0.64) CYP1A2NR4A2CYP2C19GABRA1GABRB1
SCHEMBL3249304 0.82 NR4A2 (0.48) CYP1A2HSD17B10NR4A2PIM1PIM3
SCHEMBL3245050 0.82 PARP1 (0.44) CYP1A2HSD17B10CDK2MEN1KMT2A
SCHEMBL3245598 0.81 BRD4 (0.48) MEN1KMT2ARAB9A
SCHEMBL3255989 0.81 PARP1 (0.47) CYP1A2HSD17B10F7F3
SCHEMBL3250224 0.81 CYP1A2 (0.42) CYP1A2HSD17B10CHEK1F7F3
SCHEMBL3252127 0.81 CYP1A2 (0.42) CYP1A2HSD17B10GABRA1GABRA3F7

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