SCHEMBL30680673

SCHEMBL30680673

COC(=O)c1ccc2ncn(CC3(CF)CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
USP7 Q93009 1/20 0.32
CRBN Q96SW2 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KCNH2 Q12809 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL29924416 0.86 MEN1 (0.33) MEN1KMT2AUSP7
SCHEMBL30259333 0.86 MKNK2 (0.35) PTGER4MEN1KMT2AMAPK1MRGPRX4
SCHEMBL29555150 0.77 BRD4 (0.43) MAPK1USP2LMNAUSP7MTNR1A
SCHEMBL29924291 0.77 PTGER4 (0.35) PTGER4
SCHEMBL30538743 0.76 KMT2A (0.42) PTGER4MEN1KMT2AHPGDMAPK1
SCHEMBL29079760 0.75 ALDH1A1 (0.40) PTGER4MEN1KMT2AHPGDMAPK1
SCHEMBL29558931 0.75 ALDH1A1 (0.40) PTGER4MEN1KMT2AHPGDMAPK1
SCHEMBL29079758 0.75 ALDH1A1 (0.40) PTGER4MEN1KMT2AHPGDMAPK1
SCHEMBL24174887 0.72 MAPK1 (0.42) PTGER4MEN1KMT2AMAPK1
SCHEMBL30538800 0.71 MEN1 (0.32) MEN1KMT2AUSP7

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-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed