SCHEMBL28936249

SCHEMBL28936249

CCOC(=O)c1c(N)ncnc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.44
PRKCZ Q05513 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL29919738 1.00 TSHR (0.47) TSHRALDH1A1KDM4ELMNAGLA
SCHEMBL28936237 0.83 ALDH1A1 (0.53) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL20187440 0.79 KDM4E (0.51) ALDH1A1KDM4ELMNAMAPK1MAPT
SCHEMBL15942898 0.73 L3MBTL1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1961297 0.72 AGTR1 (0.45) TSHRALDH1A1KDM4ELMNAGLA
SCHEMBL1687176 0.69 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMAPTTP53
SCHEMBL3676351 0.69 PDE4D (0.53) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL21393838 0.69 MAPT (0.44) TSHRALDH1A1KDM4ELMNAGLA
SCHEMBL11811309 0.69 KDM4E (0.48) TSHRALDH1A1KDM4ELMNAPRKCZ
SCHEMBL12590801 0.68 CYP1A2 (0.42) ALDH1A1KDM4ELMNAMAPTTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed