SCHEMBL3249950

SCHEMBL3249950

CC(=O)Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
CHEK1 O14757 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
NTRK1 P04629 1/20 0.42
PARP1 P09874 1/20 0.42
MAP4K4 O95819 1/20 0.41
FBP1 P09467 3/20 0.41
BTK Q06187 1/20 0.41
KIT P10721 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL3249171 0.88 CHEK1 (0.51) CHEK1KMT2ASMN1; SMN2KDM4EMTNR1A
SCHEMBL3252021 0.87 JAK3 (0.47) NPC1
SCHEMBL3251493 0.87 CYP17A1 (0.45) DHODHMAP4K4
SCHEMBL3244339 0.86 BRD4 (0.42) KMT2AMEN1HSD17B1HSD17B2TSHR
SCHEMBL3241804 0.85 KDR (0.44) DHODHCHEK1KMT2AMEN1MAPK10
SCHEMBL3249304 0.85 NR4A2 (0.48) DHODHPARP1KDM4E
SCHEMBL4165158 0.84 MME (0.42) DHODHCHEK1KMT2AMEN1MAPK10
SCHEMBL3248372 0.83 CDK4 (0.43) DHODHCHEK1PARP1
SCHEMBL3247597 0.82 MCL1 (0.46) CHEK1NTRK1PARP1KDM4E
SCHEMBL3242712 0.81 GRIN2D (0.42) DHODH

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