SCHEMBL25337713

SCHEMBL25337713

C=CCOC(=O)N1CC[C@H](F)[C@@H](Nc2cccc(-c3cnc4cc(C(=O)OC)ccn34)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.40
▸ MAP3K5 Q99683 1/20 0.38
▸ NRAS P01111 5/20 0.37
▸ IRAK4 Q9NWZ3 9/20 0.36
▸ IRAK1 P51617 3/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ PDGFRB P09619 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNH P51946 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ RET P07949 1/20 0.34

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
SCHEMBL25337984 0.93 FLT3 (0.38) FLT3MAP3K5IRAK4
SCHEMBL25338042 0.87 FLT3 (0.42) FLT3NRASIRAK4KDR
SCHEMBL24231461 0.80 FLT3 (0.44) FLT3NRASIRAK4KDR
SCHEMBL29373046 0.80 FLT3 (0.44) FLT3NRASIRAK4KDR
SCHEMBL24231733 0.79 FGFR3 (0.40) FLT3MAP3K5NRASIRAK4KDR
SCHEMBL25338841 0.79 FLT3 (0.54) FLT3NRASIRAK4IRAK1CHEK2
SCHEMBL24231649 0.76 FLT3 (0.48) FLT3NRASIRAK4
SCHEMBL25997411 0.74 FLT3 (0.47) FLT3NRASIRAK4KDR
SCHEMBL24231566 0.73 USP30 (0.48) FLT3NRASIRAK4KDR
SCHEMBL29372530 0.73 USP30 (0.48) FLT3NRASIRAK4KDR

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-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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