SCHEMBL30719601

SCHEMBL30719601

Cc1cc(-c2ncnc3ccccc23)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.57
▸ CAMKK1 Q8N5S9 1/20 0.47
▸ CAMKK2 Q96RR4 1/20 0.47
▸ TLR8 Q9NR97 3/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ HSD17B1 P14061 2/20 0.43
▸ HSD17B2 P37059 2/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40

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
SCHEMBL23496977 1.00 ADORA2A (0.57) ADORA2ACAMKK1CAMKK2TLR8ESR2
SCHEMBL23310408 0.81 MAP4K4 (0.59) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL23259465 0.78 ADORA2A (0.67) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL29986490 0.78 ADORA2A (0.72) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL12357140 0.78 ADORA2A (0.72) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL27739446 0.78 ADORA2A (0.72) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL28872934 0.78 ADORA2A (0.66) ADORA2ACAMKK1CAMKK2GRM4HSD17B1
SCHEMBL29986457 0.78 ADORA2A (0.66) ADORA2ACAMKK1CAMKK2GRM4HSD17B1
SCHEMBL29987357 0.78 ADORA2A (0.66) ADORA2ACAMKK1CAMKK2GRM4PIK3CD
SCHEMBL28872932 0.78 ADORA2A (0.66) ADORA2ACAMKK1CAMKK2GRM4PIK3CD

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
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 — — CN claimed
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 — — CN disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 — — CN disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 — — CN disclosed
Send feedback