SCHEMBL21662067

SCHEMBL21662067

CC(C)c1nc(-c2ccccc2)nc(-c2cccc3c2OC2C=CC=CC32)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA1 P30542 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2B P29275 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL21662098 0.94 ADORA2A (0.31) ADORA2A
SCHEMBL22913845 0.82 SMN1; SMN2 (0.36) ADORA2AL3MBTL1ADORA3ADORA1ALOX15
SCHEMBL21662066 0.82 CD274 (0.31)
SCHEMBL21304204 0.82 KDM4E (0.36)
SCHEMBL22923984 0.81 HTT (0.30) HTT
SCHEMBL22913043 0.81 TP53 (0.32) L3MBTL1TSHRMAPTRAB9AATM
SCHEMBL23944836 0.80 ADORA2A (0.32) ADORA2AL3MBTL1ADORA3ADORA1ALOX15
SCHEMBL24315743 0.80 HSD17B1 (0.33) TSHRLMNAMAPT
SCHEMBL21861098 0.80 MEN1 (0.33) HTT
SCHEMBL23027657 0.78 ENPP3 (0.31)

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-20210328154-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed
WO-2020027506-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-06 WO disclosed