SCHEMBL24975705

SCHEMBL24975705

COc1cc2ncc(-c3cncc(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)n2nc1C(C)(O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.38
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BTK Q06187 6/20 0.36
EGFR P00533 5/20 0.36
CFTR P13569 4/20 0.36
SYK P43405 1/20 0.35
PIK3CD O00329 1/20 0.35
USP30 Q70CQ3 1/20 0.35
RIPK1 Q13546 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
NSD2 O96028 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL24542476 0.91 FLT3 (0.41) EHMT2HDAC4HDAC6USP30FGFR3
SCHEMBL24542471 0.91 FLT3 (0.41) EHMT2HDAC4HDAC6USP30FGFR3
SCHEMBL24975704 0.88 CFTR (0.35) EHMT2CFTRSYKPIK3CDRIPK1
SCHEMBL26661906 0.88 CFTR (0.35) EHMT2CFTRSYKPIK3CDRIPK1
SCHEMBL24542627 0.83 FLT3 (0.43) CFTRUSP30KDRPIM1PIM2
SCHEMBL24542628 0.83 FLT3 (0.43) CFTRUSP30KDRPIM1PIM2
SCHEMBL24975906 0.83 SYK (0.39) EHMT2BTKEGFRSYKPIK3CD
SCHEMBL24976599 0.83 SYK (0.39) EHMT2BTKEGFRSYKPIK3CD
SCHEMBL24977595 0.82 HDAC4 (0.38) HDAC4HDAC6BTKEGFRSYK
SCHEMBL24977598 0.82 HDAC4 (0.38) HDAC4HDAC6BTKEGFRSYK

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