SCHEMBL24401097

SCHEMBL24401097

COc1ccc(N(Cc2cnc(Cl)nc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.43
GAA P10253 1/20 0.43
RNF4 P78317 1/20 0.43
MAPT P10636 1/20 0.42
TSPO P30536 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL24401088 0.79 SCN9A (0.40) BCL2A1RNF4DRD2DRD3MEN1
SCHEMBL14809010 0.79 BCL2A1 (0.48) BCL2A1TP53RNF4MAPTTSPO
SCHEMBL14809012 0.79 BCL2A1 (0.48) BCL2A1TP53RNF4MAPTTSPO
SCHEMBL20552582 0.76 STK17B (0.38) ALDH1A1LMNAKMT2A
SCHEMBL3065683 0.75 BCL2A1 (0.42) BCL2A1ALDH1A1
SCHEMBL23251854 0.75 HTR2C (0.42) SMN1; SMN2ALDH1A1
SCHEMBL21262061 0.75 BCL2A1 (0.43) BCL2A1SMN1; SMN2TP53GAAMAPT
SCHEMBL19513028 0.75 AGXT (0.40) SMN1; SMN2TP53MAPTDRD3CHRM2
SCHEMBL3660817 0.74 KEAP1 (0.49) BCL2A1RNF4TRPM8
SCHEMBL4002016 0.74 MLYCD (0.43) BCL2A1SMN1; SMN2TP53MAPTALDH1A1

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-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed