SCHEMBL20019436

SCHEMBL20019436

Ic1ccc2cnc3ccccc3c2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TOP2A P11388 1/20 0.49
PDPK1 O15530 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 6/20 0.40
CYP1A1 P04798 4/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP3A4 P08684 1/20 0.40
EGFR P00533 1/20 0.40
PARP1 P09874 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL11516897 0.79 KDM4E (0.64) GPR3KDM4ETOP2APDPK1MEN1
SCHEMBL22117519 0.78 KDM4E (0.62) GPR3KDM4ETOP2APDPK1MEN1
SCHEMBL22333922 0.78 GPR3 (0.62) GPR3KDM4ETOP2APDPK1MEN1
SCHEMBL18266918 0.78 GPR3 (0.62) GPR3KDM4ETOP2APDPK1MEN1
SCHEMBL2208273 0.78 KDM4E (0.62) GPR3KDM4ETOP2APDPK1CYP1A2
SCHEMBL27759215 0.78 KDM4E (0.62) GPR3KDM4ETOP2APDPK1MEN1
Phenanthridine SCHEMBL9106884 0.78 GPR3 (1.00) GPR3KDM4ETOP2APDPK1MEN1
Phenanthridine SCHEMBL8666 0.78 GPR3 (1.00) GPR3KDM4ETOP2APDPK1MEN1
Phenanthridine SCHEMBL30914262 0.78 GPR3 (1.00) GPR3KDM4ETOP2APDPK1MEN1
Phenanthridine SCHEMBL30823553 0.78 GPR3 (1.00) GPR3KDM4ETOP2APDPK1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3301097-A2 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2018-04-04 EP disclosed