SCHEMBL24574401

SCHEMBL24574401

CC(C)Oc1cn2c(-c3cccc(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)cnc2cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.47
▸ IRAK4 Q9NWZ3 9/20 0.43
▸ USP30 Q70CQ3 3/20 0.41
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.40
▸ NRAS P01111 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ CCNT1 O60563 1/20 0.39

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
SCHEMBL24574400 1.00 FLT3 (0.47) FLT3IRAK4USP30LCKRET
SCHEMBL24574166 0.95 FLT3 (0.49) FLT3IRAK4USP30LCKRET
SCHEMBL24574132 0.90 FLT3 (0.47) FLT3IRAK4USP30LCKRET
SCHEMBL24574133 0.90 FLT3 (0.47) FLT3IRAK4USP30LCKRET
SCHEMBL24231607 0.88 FLT3 (0.45) FLT3IRAK4USP30LCKRET
SCHEMBL24573973 0.87 FLT3 (0.54) FLT3IRAK4USP30LCKRET
SCHEMBL24573975 0.87 FLT3 (0.54) FLT3IRAK4USP30LCKRET
SCHEMBL24574511 0.86 FLT3 (0.53) FLT3IRAK4USP30LCKRET
SCHEMBL24573974 0.85 FLT3 (0.48) FLT3IRAK4USP30LCKRET
SCHEMBL29748850 0.85 FLT3 (0.52) FLT3IRAK4LCKRETPDGFRB

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
CN-117015380-A Polycyclic IRAK and flt3 inhibiting compounds and uses thereof 儿童医院医学中心 2023-11-07 — — CN disclosed
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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