SCHEMBL19928009

SCHEMBL19928009

c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 12/20 0.50
AKT1 P31749 11/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ADRA1B P35368 1/20 0.40
NTRK1 P04629 1/20 0.40
NR1I2 O75469 1/20 0.39
NR1I3 Q14994 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
USP7 Q93009 1/20 0.39

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
SCHEMBL19928001 1.00 AKT2 (0.50) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL19928021 0.98 AKT1 (0.48) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL19928007 0.98 AKT1 (0.48) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL17658821 0.94 AKT2 (0.47) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL17658820 0.94 AKT2 (0.47) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL17658809 0.94 AKT2 (0.47) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL17658810 0.94 AKT2 (0.47) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL17658807 0.94 AKT2 (0.47) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL22674196 0.91 AKT1 (0.48) AKT2AKT1NPC1RAB9AADRA1B
SCHEMBL22673528 0.91 AKT1 (0.48) AKT2AKT1NPC1RAB9AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911924-B2 Material for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-06 US disclosed
US-9911924-B2 Material for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-03-06 US disclosed