SCHEMBL21662098

SCHEMBL21662098

CC(C)c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2OC2C=CC=CC32)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31

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
SCHEMBL21662067 0.94 ADORA2A (0.33) ADORA2A
SCHEMBL21304204 0.87 KDM4E (0.36)
SCHEMBL23027657 0.85 ENPP3 (0.31)
SCHEMBL24315743 0.83 HSD17B1 (0.33)
SCHEMBL22913845 0.81 SMN1; SMN2 (0.36) ADORA2A
SCHEMBL23944836 0.81 ADORA2A (0.32) ADORA2APDE7APDE7B
SCHEMBL24971418 0.77 KDM4E (0.33)
SCHEMBL21662066 0.76 CD274 (0.31)
SCHEMBL22923984 0.76 HTT (0.30)
SCHEMBL22924265 0.76 PRKDC (0.32)

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