SCHEMBL17691972

SCHEMBL17691972

c1ccc2c(c1)c(-c1ccc3nccnc3c1)cc1ccc3ccc(-c4ccc5nccnc5c4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TGFBR1 P36897 5/20 0.39
PIK3CA P42336 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ACVR1 Q04771 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
GSK3B P49841 2/20 0.35
TDO2 P48775 2/20 0.35
MAPK10 P53779 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALOX5AP P20292 1/20 0.34

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
SCHEMBL17691978 0.93 CYP3A4 (0.45) CYP3A4TGFBR1NPC1POLBRAB9A
SCHEMBL17691970 0.90 NPC1 (0.40) CYP3A4TGFBR1PIK3CANPC1POLB
SCHEMBL20698344 0.88 TDO2 (0.50) CYP3A4TGFBR1PIK3CANPC1POLB
SCHEMBL22617880 0.87 NPC1 (0.37) CYP3A4TGFBR1PIK3CANPC1POLB
SCHEMBL17691974 0.86 NPC1 (0.58) CYP3A4PIK3CANPC1POLBRAB9A
SCHEMBL17692319 0.81 CYP3A4 (0.42) CYP3A4TGFBR1NPC1POLBRAB9A
SCHEMBL17691977 0.81 CYP3A4 (0.58) CYP3A4PIK3CANPC1POLBRAB9A
SCHEMBL17691973 0.80 TDO2 (0.50) CYP3A4TGFBR1PIK3CANPC1POLB
SCHEMBL17692308 0.80 TGFBR1 (0.40) TGFBR1PIK3CANPC1POLBRAB9A
SCHEMBL17692015 0.79 NPC1 (0.45) CYP3A4NPC1POLBRAB9AKDM4E

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
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed