SCHEMBL25988795

SCHEMBL25988795

COc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.72
NRAS P01111 8/20 0.57
IRAK4 Q9NWZ3 7/20 0.55
IRAK1 P51617 3/20 0.51
PDGFRB P09619 2/20 0.51
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
KDR P35968 4/20 0.51
CSF1R P07333 3/20 0.51
KIT P10721 2/20 0.51
CYP2D6 P10635 1/20 0.51
KCNH2 Q12809 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT4 P35916 1/20 0.51
DDR1 Q08345 1/20 0.51
NTRK3 Q16288 1/20 0.51
AURKB Q96GD4 1/20 0.51
LCK P06239 1/20 0.50

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
SCHEMBL25992436 1.00 FLT3 (0.72) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL25989694 0.92 FLT3 (0.79) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL25989696 0.92 FLT3 (0.79) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24231529 0.92 FLT3 (0.79) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24231298 0.90 FLT3 (0.58) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL25991404 0.90 FLT3 (0.58) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL24231329 0.90 FLT3 (0.58) FLT3NRASIRAK4IRAK1KDR
SCHEMBL25991512 0.90 FLT3 (0.58) FLT3NRASIRAK4IRAK1KDR
SCHEMBL24977141 0.90 FLT3 (0.57) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27362520 0.90 FLT3 (0.57) 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-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 WO disclosed