SCHEMBL27331053

SCHEMBL27331053

COc1ccc(NC2CNCC2F)nc1-c1cnc2cc(OC)c(C3CC3)nn12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.38
▸ NRAS P01111 10/20 0.38
▸ FYN P06241 6/20 0.38
▸ IRAK1 P51617 3/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ CCNH P51946 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ AURKB Q96GD4 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
SCHEMBL27327101 1.00 FLT3 (0.38) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27329396 0.93 FLT3 (0.41) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27326933 0.93 FLT3 (0.41) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27329408 0.93 FLT3 (0.37) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27326946 0.93 FLT3 (0.37) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27332445 0.93 NRAS (0.42) FLT3NRASFYNIRAK1IRAK4
SCHEMBL27327896 0.93 NRAS (0.42) FLT3NRASFYNIRAK1IRAK4
SCHEMBL24542224 0.87 FLT3 (0.51) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739753 0.86 FLT3 (0.41) FLT3NRASFYNIRAK1IRAK4
SCHEMBL31739607 0.86 FLT3 (0.41) FLT3NRASFYNIRAK1IRAK4

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