SCHEMBL24977195

SCHEMBL24977195

CC(C)Oc1ccn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.56
IRAK4 Q9NWZ3 8/20 0.52
NRAS P01111 9/20 0.51
IRAK1 P51617 5/20 0.46
PDGFRB P09619 3/20 0.46
CDK7 P50613 3/20 0.46
CCNH P51946 3/20 0.46
LCK P06239 1/20 0.46
RET P07949 1/20 0.46
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
DDR1 Q08345 1/20 0.45
NTRK3 Q16288 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL24976035 0.95 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL24231303 0.95 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL376585 0.91 FLT3 (0.68) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10239853 0.91 FLT3 (0.52) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10239525 0.91 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL2037292 0.91 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10238541 0.91 FLT3 (0.54) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL10238377 0.89 FLT3 (0.52) FLT3IRAK4NRASIRAK1PDGFRB
SCHEMBL24232004 0.89 FLT3 (0.47) FLT3IRAK4NRASKDR
SCHEMBL24975938 0.86 IRAK4 (0.53) FLT3IRAK4NRASIRAK1PDGFRB

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-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed