SCHEMBL31049262

SCHEMBL31049262

Fc1c[nH]c2c(Br)cccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.55
▸ GPR84 Q9NQS5 1/20 0.44
▸ CLK1 P49759 3/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ SLC6A4 P31645 5/20 0.41
▸ MPO P05164 5/20 0.41
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ AHR P35869 1/20 0.36
▸ AR P10275 1/20 0.36

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
SCHEMBL31049406 0.80 GPR84 (0.64) GPR84SLC6A4MPO
SCHEMBL19836840 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL21636392 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL31049280 0.75 HTR2A (0.56) GPR84AHRAR
SCHEMBL24743296 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL23658612 0.75 GPR84 (0.58) DYRK1AGPR84SLC6A4MPO
SCHEMBL13544614 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL1137500 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL31188784 0.75 DYRK1A (0.55) DYRK1ACLK1CDK5CDK5R1GSK3B
SCHEMBL28002632 0.75 IMPDH2 (0.50) GPR84CLK1CDK5CDK5R1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080608-A1 DESAMIDE ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
WO-2025080609-A1 ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
CN-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
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