SCHEMBL31000288

SCHEMBL31000288

COc1cc2ncc(-c3ccnc(Cl)n3)n2nc1C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ DYRK2 Q92630 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ FYN P06241 12/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ ACVR2A P27037 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ RIPK2 O43353 2/20 0.35

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
SCHEMBL30698345 0.83 FYN (0.40) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL29682996 0.80 DYRK1A (0.38) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL24542626 0.80 DYRK1A (0.38) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL30698330 0.77 RIPK2 (0.37) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL31000324 0.77 DYRK1A (0.40) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL31000254 0.76 DYRK1A (0.40) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL31000208 0.76 DYRK1A (0.40) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL31000240 0.75 DYRK1A (0.39) DYRK1ADYRK3DYRK2CCNT1CDK9
SCHEMBL24976664 0.74 GABRA1 (0.42) FYNGABRA1GABRG2GABRB3GABRA3
SCHEMBL30248463 0.74 GABRA1 (0.42) FYNGABRA1GABRG2GABRB3GABRA3

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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