SCHEMBL30994255

SCHEMBL30994255

CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc3cc(Cl)nnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.49
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
SRC P12931 5/20 0.40
EGFR P00533 3/20 0.40
ABL1 P00519 2/20 0.39
ABL2 P42684 2/20 0.39
FPR2 P25090 1/20 0.38
PIK3CD O00329 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP30 Q70CQ3 2/20 0.38
MAPT P10636 1/20 0.38
HPGDS O60760 1/20 0.37
BTK Q06187 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.36
FNTA P49354 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
SCHEMBL30994032 0.82 SRC (0.42) HCAR1JAK2JAK1SRCEGFR
SCHEMBL31637295 0.82 FEN1 (0.43) HCAR1JAK2JAK1BRD4FNTA
SCHEMBL30994180 0.81 SRC (0.43) HCAR1JAK2JAK1SRCEGFR
SCHEMBL31265017 0.81 HCAR1 (0.44) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30994012 0.81 SRC (0.41) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30994150 0.80 SRC (0.41) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30994439 0.80 SRC (0.42) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30994103 0.78 MEN1 (0.43) HCAR1JAK2JAK1SRCEGFR
SCHEMBL17144495 0.78 HCAR1 (0.45) HCAR1JAK2JAK1SRCEGFR
SCHEMBL17143824 0.78 HCAR1 (0.45) HCAR1JAK2JAK1SRCEGFR

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
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 EP disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 WO disclosed