SCHEMBL24976169

SCHEMBL24976169

Cc1cnc2cc(OC(C)C)ccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
FLT3 P36888 3/20 0.36
FGFR1 P11362 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
MAP4K4 O95819 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
LRRK2 Q5S007 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL24976620 0.86 KIT (0.39) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL19677383 0.84 FLT3 (0.52) FLT3MAP4K4CYP1A2KDR
SCHEMBL24975909 0.83 FGFR1 (0.35) ALDH1A1KDM4EGAAPKMFLT3
SCHEMBL21863416 0.81 FLT3 (0.48) PRMT5WDR77ALDH1A1KDM4EPKM
SCHEMBL20721438 0.80 FLT3 (0.38) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL17437915 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EGAAPKMFGFR1
SCHEMBL24976174 0.77 PRMT5 (0.39) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL21593360 0.76 PRMT5 (0.40) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL24976624 0.75 NEK2 (0.39) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL23107182 0.75 KIT (0.45) PRMT5WDR77ALDH1A1KDM4EGAA

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
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed