SCHEMBL31000236

SCHEMBL31000236

COc1cc2ncc(-c3cncc(Br)n3)n2nc1C1CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 13/20 0.32
▸ DYRK1A Q13627 3/20 0.31
▸ DYRK3 O43781 2/20 0.31
▸ DYRK2 Q92630 2/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ DYRK1B Q9Y463 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
SCHEMBL31000281 0.81 DYRK1A (0.37) DYRK1A
SCHEMBL31000096 0.81 F2RL3 (0.30) —
SCHEMBL31000128 0.79 IGF1R (0.32) FYN
SCHEMBL31000240 0.79 DYRK1A (0.39) FYNDYRK1ADYRK3DYRK2CCNT1
SCHEMBL31000222 0.77 PDE4D (0.33) FYN
SCHEMBL31000244 0.76 TRPC6 (0.31) —
SCHEMBL31000295 0.76 CNR2 (0.35) —
SCHEMBL31739611 0.76 DYRK1A (0.37) FYNDYRK1ADYRK3DYRK2CCNT1
SCHEMBL24542495 0.75 FLT3 (0.42) FYNDYRK1ADYRK3DYRK2CCNT1
SCHEMBL29682761 0.75 FLT3 (0.42) FYNDYRK1ADYRK3DYRK2CCNT1

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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