SCHEMBL30829469

SCHEMBL30829469

COC(=O)c1[nH]nc(C)c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
RPS6KB1 P23443 1/20 0.45
CSNK1D P48730 1/20 0.45
DYRK1A Q13627 1/20 0.45
NTRK2 Q16620 1/20 0.45
AURKB Q96GD4 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
GAA P10253 1/20 0.41
MAP2K4 P45985 1/20 0.41
HAO2 Q9NYQ3 1/20 0.41
XPO1 O14980 1/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALPL P05186 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
SCHEMBL23780336 0.85 PIN1 (0.50) MEN1KMT2AMAP2K4HAO2MAPT
SCHEMBL30829475 0.75 AKT2 (0.62) MEN1KMT2AHAO2MAPTSMN1; SMN2
SCHEMBL20213984 0.75 AKT2 (0.62) MEN1KMT2AHAO2MAPTSMN1; SMN2
SCHEMBL10875241 0.74 HSP90AA1 (0.54) LMNAGSK3AGSK3BRPS6KB1CSNK1D
SCHEMBL6955300 0.73 SMN1; SMN2 (0.52) LMNAALDH1A1GSK3AGSK3BRPS6KB1
SCHEMBL2016547 0.72 SMN1; SMN2 (0.45) LMNAALDH1A1GSK3AGSK3BRPS6KB1
SCHEMBL269910 0.71 KDM4E (0.51) ALDH1A1GSK3AGSK3BRPS6KB1CSNK1D
SCHEMBL6302515 0.71 KMT2A (0.43) ALDH1A1GSK3BMEN1KMT2AGAA
SCHEMBL5317799 0.70 TRPM8 (0.49) LMNAALDH1A1MEN1KMT2ATRPM8
SCHEMBL11351745 0.70 ALDH1A1 (0.58) LMNAALDH1A1MEN1KMT2ATRPM8

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
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed