SCHEMBL29373334

SCHEMBL29373334

COC(=O)c1ccn2c(-c3cccc(Br)n3)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
FLT3 P36888 7/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
FGFR3 P22607 3/20 0.41
NRAS P01111 1/20 0.39
CDK8 P49336 1/20 0.39
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.38

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
SCHEMBL24231674 1.00 KDR (0.49) KDRFLT3GABRA1GABRG2GABRB3
SCHEMBL29372765 0.86 FYN (0.44) KDRFLT3GABRA1GABRG2GABRB3
SCHEMBL24231555 0.86 FYN (0.44) KDRFLT3GABRA1GABRG2GABRB3
SCHEMBL3330148 0.84 KDR (0.46) KDRFLT3
SCHEMBL26359555 0.78 FLT3 (0.62) KDRFLT3GABRA1GABRG2GABRB3
SCHEMBL2660202 0.78 JMJD6 (0.42) KDRFGFR3HPGD
SCHEMBL376136 0.77 CSNK2A1 (0.39) KDRFLT3FGFR3HPGD
SCHEMBL25997433 0.77 IRAK4 (0.67) KDRFLT3NRASIRAK4
SCHEMBL24231536 0.77 FLT3 (0.50) KDRFLT3GABRA1GABRG2GABRB3
SCHEMBL29373196 0.77 FLT3 (0.50) KDRFLT3GABRA1GABRG2GABRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022026935-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-02-03 WO disclosed