SCHEMBL25338042

SCHEMBL25338042

COC(=O)c1ccn2c(-c3cccc(N[C@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.42
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ NRAS P01111 2/20 0.38
▸ IRAK4 Q9NWZ3 6/20 0.38
▸ USP30 Q70CQ3 3/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ NEK2 P51955 1/20 0.36

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
SCHEMBL24231461 0.93 FLT3 (0.44) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL29373046 0.93 FLT3 (0.44) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL24231733 0.92 FGFR3 (0.40) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL24231649 0.89 FLT3 (0.48) FLT3CCNT1NRASIRAK4USP30
SCHEMBL25337713 0.87 FLT3 (0.40) FLT3KDRNRASIRAK4
SCHEMBL25997411 0.86 FLT3 (0.47) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL29372530 0.86 USP30 (0.48) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL24231566 0.86 USP30 (0.48) FLT3FGFR3KDRCCNT1NRAS
SCHEMBL24231729 0.85 USP30 (0.43) FLT3FGFR3KDRCCNT1IRAK4
SCHEMBL24231697 0.85 USP30 (0.45) FLT3FGFR3KDRCCNT1NRAS

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-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
WO-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 — — WO disclosed
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