SCHEMBL25790841

SCHEMBL25790841

CNc1cnc(C)nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDE10A Q9Y233 1/20 0.34
PKM P14618 1/20 0.33
NTRK1 P04629 1/20 0.31
CHRM4 P08173 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
SCHEMBL25778214 0.77 CYP1A2 (0.38) PDE10A
SCHEMBL25778213 0.76 CTSK (0.34) PKM
SCHEMBL25779726 0.73 HSD11B1 (0.36) HSD11B1PDK1PDK2PDE10APKM
SCHEMBL15933175 0.73 HSD11B1 (0.36) HSD11B1PDK1PDK2PKM
SCHEMBL23097407 0.72 KCNJ6 (0.38) HSD11B1PDK2PDE10APKMCHRM4
SCHEMBL25790649 0.72 ATR (0.35) PDE10ACHRM4
SCHEMBL17194138 0.71 NTRK1 (0.36) PDK2NTRK1
SCHEMBL3825587 0.70 LMNA (0.40) HSD11B1PDK1PDK2PDE10APKM
SCHEMBL3070206 0.70 LMNA (0.46) NTRK1
SCHEMBL24391078 0.69 GABBR2 (0.51) PDE10ACHRM4

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
WO-2023125928-A1 MENIN INHIBITOR AND USE THEREOF 成都先导药物开发股份有限公司 2023-07-06 WO disclosed