SCHEMBL27368973

SCHEMBL27368973

FC1CNCC1Nc1cccc(-c2cnc3cnc(-c4cnn5ccccc45)cn23)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.50
IRAK4 Q9NWZ3 11/20 0.50
NRAS P01111 4/20 0.46
IRAK1 P51617 3/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
CDK7 P50613 1/20 0.41
BLK P51451 1/20 0.41
CCNH P51946 1/20 0.41

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
SCHEMBL24574012 1.00 FLT3 (0.50) FLT3IRAK4NRASIRAK1LCK
SCHEMBL24542328 0.86 FLT3 (0.46) FLT3IRAK4NRASIRAK1CDK7
SCHEMBL24574016 0.83 IRAK4 (0.67) FLT3IRAK4NRASIRAK1LCK
SCHEMBL27370037 0.83 IRAK4 (0.67) FLT3IRAK4NRASIRAK1LCK
SCHEMBL24542373 0.80 IRAK4 (0.47) FLT3IRAK4NRASIRAK1LCK
SCHEMBL25989914 0.80 IRAK4 (0.76) FLT3IRAK4NRAS
SCHEMBL24231229 0.80 IRAK4 (0.76) FLT3IRAK4NRAS
SCHEMBL376370 0.79 CCNK (0.42) FLT3IRAK4CDK7CCNH
SCHEMBL376352 0.79 CCNK (0.42) FLT3IRAK4CDK7CCNH
SCHEMBL376351 0.79 CCNK (0.42) FLT3IRAK4CDK7CCNH

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