SCHEMBL27330149

SCHEMBL27330149

COc1cc2ncc(-c3nc(NC4CNCCC4F)c(F)cc3F)n2nc1C12CC(C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.47
▸ NRAS P01111 9/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.32
▸ IRAK1 P51617 3/20 0.32
▸ CDK7 P50613 3/20 0.32
▸ CCNH P51946 3/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CCNK O75909 1/20 0.30
▸ CCNE1 P24864 1/20 0.30

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
SCHEMBL27330151 1.00 FLT3 (0.47) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL31739755 1.00 FLT3 (0.47) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL27326955 0.93 NRAS (0.42) FLT3NRAS
SCHEMBL31739701 0.93 NRAS (0.42) FLT3NRAS
SCHEMBL27329556 0.93 NRAS (0.42) FLT3NRAS
SCHEMBL30698304 0.87 FLT3 (0.53) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL27330274 0.87 FLT3 (0.53) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL24542245 0.86 FLT3 (0.49) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL27332857 0.86 FLT3 (0.49) FLT3NRASIRAK4IRAK1CDK7
SCHEMBL27327738 0.85 FLT3 (0.47) FLT3NRASIRAK4IRAK1CDK7

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-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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