SCHEMBL24977161

SCHEMBL24977161

C[C@](O)(c1cn2c(-c3ccnc(N[C@@H]4CCCNC4)n3)cnc2cn1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.49
IRAK4 Q9NWZ3 7/20 0.49
IRAK1 P51617 3/20 0.49
CDK7 P50613 3/20 0.49
CCNH P51946 3/20 0.49
LCK P06239 2/20 0.49
RET P07949 2/20 0.49
PDGFRB P09619 2/20 0.49
BLK P51451 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
MAPK8 P45983 3/20 0.47
NRAS P01111 6/20 0.45
MAPK9 P45984 5/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
JUN P05412 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK10 P53779 1/20 0.40
MNAT1 P51948 1/20 0.40

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
SCHEMBL30248481 1.00 FLT3 (0.49) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL24976668 1.00 FLT3 (0.49) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL24975877 1.00 FLT3 (0.49) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL31000113 0.89 IRAK4 (0.51) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL24574117 0.89 FLT3 (0.64) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL31068091 0.89 FLT3 (0.64) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL27370278 0.89 FLT3 (0.64) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL31000089 0.86 CCNT1 (0.46) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL24975673 0.86 IRAK4 (0.44) FLT3IRAK4IRAK1CDK7CCNH
SCHEMBL31557809 0.86 IRAK4 (0.44) FLT3IRAK4IRAK1CDK7CCNH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 WO disclosed