SCHEMBL27327910

SCHEMBL27327910

COc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)n2nc1C1CCO1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.47
▸ NRAS P01111 12/20 0.47
▸ IRAK1 P51617 3/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ 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
▸ FYN P06241 3/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MKNK1 Q9BUB5 3/20 0.31

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
SCHEMBL30698276 1.00 FLT3 (0.47) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24542245 0.91 FLT3 (0.49) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27332857 0.91 FLT3 (0.49) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27330272 0.89 FLT3 (0.47) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327583 0.89 FLT3 (0.47) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327754 0.89 NRAS (0.48) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327586 0.89 NRAS (0.48) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27330372 0.89 NRAS (0.48) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739545 0.89 NRAS (0.48) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27330282 0.89 NRAS (0.48) FLT3NRASIRAK1IRAK4PDGFRB

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
Send feedback