SCHEMBL3254573

SCHEMBL3254573

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(C#Cc4ccccn4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.41
NPC1 O15118 4/20 0.41
HCRTR1 O43613 3/20 0.41
RAB9A P51151 3/20 0.41
FFAR1 O14842 1/20 0.39
ERN1 O75460 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GRM5 P41594 4/20 0.38
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 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
SCHEMBL3249100 0.87 HNF4A (0.44) TDP1GRM5IP6K1IP6K3IP6K2
SCHEMBL3251902 0.86 GABRA1 (0.43) NPC1HCRTR1RAB9ATDP1POLB
SCHEMBL4159518 0.84 FFAR1 (0.50) HAO1NPC1HCRTR1RAB9AFFAR1
SCHEMBL3248945 0.82 GABRA1 (0.42) TDP1POLBTET2TET1
SCHEMBL3250695 0.79 NPC1 (0.40) HAO1NPC1HCRTR1RAB9AFFAR1
SCHEMBL3252127 0.78 CYP1A2 (0.42) TDP1POLBTET2TET1
SCHEMBL3248798 0.77 PIKFYVE (0.39) HAO1
Propionic Acid SCHEMBL4159523 0.77 FFAR1 (0.43) HAO1NPC1HCRTR1RAB9AFFAR1
SCHEMBL3245806 0.76 TBK1 (0.43)
SCHEMBL3244728 0.75 KDM4E (0.41) RAB9ATDP1POLBCASP3

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 4 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
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