SCHEMBL29683136

SCHEMBL29683136

CC(C)(O)c1cnn2c(-c3cccc(Br)n3)cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ DYRK1A Q13627 3/20 0.36
▸ CYP11B1 P15538 5/20 0.33
▸ CYP11B2 P19099 5/20 0.33
▸ FLT3 P36888 4/20 0.33
▸ DYRK3 O43781 2/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ DYRK2 Q92630 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.31
▸ FGFR1 P11362 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
SCHEMBL24542419 1.00 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL24231689 0.81 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL29373972 0.81 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL29682996 0.79 DYRK1A (0.38) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL24542626 0.79 DYRK1A (0.38) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL24542406 0.78 FLT3 (0.42) GABRA1GABRG2GABRB3GABRA3DYRK1A
SCHEMBL24231440 0.77 EIF2AK4 (0.47) GABRA1GABRG2GABRB3GABRA3FLT3
SCHEMBL29373301 0.77 EIF2AK4 (0.47) GABRA1GABRG2GABRB3GABRA3FLT3
SCHEMBL24542764 0.77 IRAK4 (0.60) FLT3KDRIRAK4
SCHEMBL24542587 0.77 FLT3 (0.46) FLT3IRAK4

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
EP-4262802-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2023-10-25 — — EP disclosed
CN-116887834-A Polycyclic IRAK and flt3 inhibiting compounds and uses thereof 儿童医院医学中心 2023-10-13 — — CN 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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