SCHEMBL27370282

SCHEMBL27370282

c1cc(NC2CCCNC2)nc(-c2cnc3cnccn23)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.78
FLT3 P36888 14/20 0.68
IRAK1 P51617 3/20 0.68
LCK P06239 2/20 0.68
RET P07949 2/20 0.68
PDGFRB P09619 2/20 0.68
CDK7 P50613 2/20 0.68
CCNH P51946 2/20 0.68
BLK P51451 1/20 0.68
SRPK1 Q96SB4 1/20 0.68
NRAS P01111 7/20 0.59

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
SCHEMBL24574118 1.00 IRAK4 (0.78) IRAK4FLT3IRAK1LCKRET
SCHEMBL24574513 0.94 IRAK4 (0.77) IRAK4FLT3IRAK1LCKRET
SCHEMBL29748695 0.94 IRAK4 (0.77) IRAK4FLT3IRAK1LCKRET
SCHEMBL376686 0.88 IRAK4 (0.59) IRAK4FLT3IRAK1LCKRET
SCHEMBL22145804 0.88 IRAK4 (1.00) IRAK4FLT3IRAK1LCKRET
SCHEMBL27361717 0.87 IRAK4 (0.59) IRAK4FLT3IRAK1LCKRET
SCHEMBL24574015 0.84 FLT3 (0.74) IRAK4FLT3IRAK1LCKRET
SCHEMBL27370038 0.84 FLT3 (0.74) IRAK4FLT3IRAK1LCKRET
SCHEMBL24573998 0.83 IRAK4 (0.58) IRAK4FLT3IRAK1LCKRET
SCHEMBL27369865 0.83 IRAK4 (0.58) IRAK4FLT3IRAK1LCKRET

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-2023250431-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-28 WO disclosed