SCHEMBL31000177

SCHEMBL31000177

Clc1nccc(-c2cnc3cc(OC4CC4)c(C4CC4)nn23)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 8/20 0.39
▸ KMO O15229 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ RIPK2 O43353 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ FYN P06241 1/20 0.33

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
SCHEMBL31000241 0.86 PDE4D (0.34) PDE4DDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000221 0.85 DYRK1A (0.38) PDE4DDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000227 0.80 KMO (0.35) PDE4DKMO
SCHEMBL31000324 0.79 DYRK1A (0.40) PDE4DDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000240 0.78 DYRK1A (0.39) PDE4DDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000222 0.77 PDE4D (0.33) PDE4DIRAK4FYN
SCHEMBL31000214 0.77 MAPK8 (0.36) IRAK4CCNT1CDK9DYRK1BPIM1
SCHEMBL31000208 0.76 DYRK1A (0.40) PDE4DIRAK4DYRK1ADYRK3DYRK2
SCHEMBL31000343 0.76 DYRK1A (0.38) PDE4DDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000298 0.73 TYRO3 (0.33) —

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
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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