SCHEMBL3249100

SCHEMBL3249100

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(C#Cc4ccccc4)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.44
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
KDM4E B2RXH2 4/20 0.40
GRM5 P41594 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIA2 P42262 2/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK3 Q13003 2/20 0.39
FASN P49327 1/20 0.39
PARP1 P09874 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DHODH Q02127 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL3254573 0.87 HAO1 (0.41) IP6K1IP6K3IP6K2GRM5TDP1
SCHEMBL3252127 0.85 CYP1A2 (0.42) KDM4ECYP1A2HSD17B10GRIA2GRIK2
SCHEMBL3248945 0.85 GABRA1 (0.42) KDM4ECYP1A2HSD17B10FASNPARP1
SCHEMBL3250604 0.85 GABRA1 (0.45) KDM4ECYP1A2ALDH1A1
SCHEMBL3248798 0.84 PIKFYVE (0.39) KDM4ECYP1A2HSD17B10ALDH1A1HPGD
SCHEMBL3245806 0.82 TBK1 (0.43) KDM4ECYP1A2HSD17B10GRIA2GRIK2
SCHEMBL3244728 0.82 KDM4E (0.41) KDM4ECYP1A2HSD17B10PARP1CSNK2A2
SCHEMBL3249304 0.81 NR4A2 (0.48) HNF4AKDM4ECYP1A2HSD17B10GRIA2
SCHEMBL4160294 0.81 FFAR1 (0.48) IP6K1IP6K3IP6K2HPGD
SCHEMBL3247782 0.81 KDM4E (0.54) KDM4ECYP1A2HSD17B10PARP1CSNK2A2

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