SCHEMBL24975906

SCHEMBL24975906

COc1cc2ncc(-c3cncc(N[C@@H]4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1C(C)(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
PIK3CD O00329 2/20 0.39
EHMT2 Q96KQ7 2/20 0.39
EGFR P00533 2/20 0.38
BTK Q06187 2/20 0.38
NRAS P01111 3/20 0.38
FLT3 P36888 3/20 0.38
RIPK1 Q13546 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
NSD2 O96028 1/20 0.37
USP30 Q70CQ3 3/20 0.37
MET P08581 1/20 0.36
DYRK1A Q13627 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
CDK7 P50613 1/20 0.36
IRAK1 P51617 1/20 0.36
CCNH P51946 1/20 0.36

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
SCHEMBL24976599 1.00 SYK (0.39) SYKPIK3CDEHMT2EGFRBTK
SCHEMBL24231884 0.91 FLT3 (0.49) NRASFLT3USP30LCKRET
SCHEMBL24976078 0.87 MAPK9 (0.43) SYKPIK3CDEHMT2EGFRUSP30
SCHEMBL30248534 0.87 USP30 (0.36) EHMT2EGFRNRASFLT3RIPK1
SCHEMBL26661903 0.87 USP30 (0.36) EHMT2EGFRNRASFLT3RIPK1
SCHEMBL24975903 0.87 USP30 (0.36) EHMT2EGFRNRASFLT3RIPK1
SCHEMBL24231497 0.83 FLT3 (0.51) NRASFLT3USP30LCKRET
SCHEMBL24975705 0.83 EHMT2 (0.38) SYKPIK3CDEHMT2EGFRBTK
SCHEMBL24977595 0.81 HDAC4 (0.38) SYKEGFRBTKFLT3USP30
SCHEMBL24977598 0.81 HDAC4 (0.38) SYKEGFRBTKFLT3USP30

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