SCHEMBL24976239

SCHEMBL24976239

COc1cc2ncc(-c3ccnc(N[C@@H]4CCCNC4)n3)n2cc1C(C)(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRAS P01111 10/20 0.56
FLT3 P36888 11/20 0.55
IRAK4 Q9NWZ3 6/20 0.51
IRAK1 P51617 4/20 0.51
CDK7 P50613 4/20 0.51
CCNH P51946 4/20 0.51
PDGFRB P09619 3/20 0.51
LCK P06239 2/20 0.51
RET P07949 2/20 0.51
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
DDR1 Q08345 1/20 0.48
NTRK3 Q16288 1/20 0.48
AURKB Q96GD4 1/20 0.48
BLK P51451 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
MAPK8 P45983 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
SCHEMBL31557798 1.00 NRAS (0.56) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL31557782 0.92 NRAS (0.53) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL24975710 0.92 NRAS (0.53) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL26365122 0.88 NRAS (0.72) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL26000496 0.88 NRAS (0.72) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL24976207 0.87 FLT3 (0.57) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL24977200 0.86 FLT3 (0.49) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL31557788 0.86 FLT3 (0.49) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL27362516 0.86 FLT3 (0.49) NRASFLT3IRAK4IRAK1CDK7
SCHEMBL31557808 0.85 NRAS (0.57) NRASFLT3IRAK4IRAK1CDK7

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