SCHEMBL29682735

SCHEMBL29682735

COc1cc2ncc(-c3cccc(Br)n3)n2nc1C(C)(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.39
▸ DYRK3 O43781 4/20 0.39
▸ DYRK2 Q92630 4/20 0.39
▸ DYRK1B Q9Y463 3/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ FYN P06241 10/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 1/20 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
SCHEMBL24542640 1.00 DYRK1A (0.39) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL24542626 0.89 DYRK1A (0.38) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL29682996 0.89 DYRK1A (0.38) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL24542585 0.89 FYN (0.38) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL24975719 0.87 FYN (0.33) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL30248571 0.87 FYN (0.33) DYRK1ADYRK3DYRK2DYRK1BCCNT1
SCHEMBL24231648 0.81 RIPK2 (0.45) GABRA1GABRG2GABRB3GABRA3RIPK2
SCHEMBL29372812 0.81 RIPK2 (0.45) GABRA1GABRG2GABRB3GABRA3RIPK2
SCHEMBL24542507 0.80 FLT3 (0.46) NRASFLT3
SCHEMBL24542868 0.80 FLT3 (0.46) NRASFLT3

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-4262802-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2023-10-25 — — EP disclosed
WO-2022132936-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-23 — — WO disclosed
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