SCHEMBL24574511

SCHEMBL24574511

COc1cn2c(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)cnc2cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.53
▸ IRAK4 Q9NWZ3 9/20 0.49
▸ PIK3CD O00329 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.46
▸ NRAS P01111 4/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ LCK P06239 2/20 0.43
▸ RET P07949 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ IRAK1 P51617 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ BLK P51451 1/20 0.43
▸ IDH1 O75874 1/20 0.43
▸ BTK Q06187 1/20 0.42

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
SCHEMBL24574166 0.91 FLT3 (0.49) FLT3IRAK4PIK3CDUSP30NRAS
SCHEMBL24573974 0.90 FLT3 (0.48) FLT3IRAK4PIK3CDUSP30NRAS
SCHEMBL24574365 0.90 FLT3 (0.48) FLT3IRAK4PIK3CDUSP30CCNT1
SCHEMBL24231686 0.89 IRAK4 (0.62) FLT3IRAK4USP30NRASCCNT1
SCHEMBL24574190 0.89 FLT3 (0.51) FLT3IRAK4USP30NRASCCNT1
SCHEMBL24574159 0.88 FLT3 (0.51) FLT3IRAK4USP30NRASCCNT1
SCHEMBL24574154 0.88 FLT3 (0.51) FLT3IRAK4USP30NRASCCNT1
SCHEMBL24542624 0.88 PIK3CD (0.48) FLT3IRAK4PIK3CDUSP30CCNT1
SCHEMBL19918240 0.87 FLT3 (0.51) FLT3IRAK4USP30NRASCCNT1
SCHEMBL24574586 0.87 FLT3 (0.49) FLT3IRAK4PIK3CDUSP30NRAS

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-2022140647-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-30 — — WO disclosed
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