SCHEMBL27327095

SCHEMBL27327095

COc1cc2ncc(-c3ccc(C#N)c(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.42
▸ NRAS P01111 11/20 0.42
▸ LRRK2 Q5S007 2/20 0.33
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ IRAK1 P51617 3/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ IGF1R P08069 1/20 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
SCHEMBL30698339 1.00 FLT3 (0.42) FLT3NRASLRRK2IRAK4IRAK1
SCHEMBL27331052 1.00 FLT3 (0.42) FLT3NRASLRRK2IRAK4IRAK1
SCHEMBL31739845 0.94 FLT3 (0.46) FLT3NRASLRRK2IRAK4IRAK1
SCHEMBL27327915 0.94 FLT3 (0.46) FLT3NRASLRRK2IRAK4IRAK1
SCHEMBL27326950 0.90 FLT3 (0.38) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31739915 0.90 FLT3 (0.38) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27329555 0.90 FLT3 (0.38) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31739699 0.89 FLT3 (0.37) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31739830 0.89 FLT3 (0.41) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27329394 0.89 FLT3 (0.41) FLT3NRASIRAK4IRAK1PDGFRB

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