SCHEMBL25908455

SCHEMBL25908455

Oc1cc(N2CC3CCC(C2)O3)nc2ccnn12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.40
MAP3K12 Q12852 1/20 0.36
PIK3CA P42336 5/20 0.35
PIK3R1 P27986 4/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
MAP3K7 O43318 1/20 0.35

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
SCHEMBL24962176 0.84 RAD52 (0.42) DPP4MAP3K12PIK3CA
SCHEMBL25908456 0.84 PDE10A (0.51) DPP4MAP3K12PIK3CA
SCHEMBL24962187 0.78 ATR (0.38) DPP4MAP3K12MAP3K7
SCHEMBL24962177 0.77 RAD52 (0.40) DPP4
SCHEMBL24962396 0.77 DPP4 (0.33) DPP4MAP3K12PIK3CAPIK3R1MAP3K7
SCHEMBL27233155 0.77 DPP4 (0.33) DPP4MAP3K12PIK3CAPIK3R1MAP3K7
SCHEMBL30893787 0.75 SMPD3 (0.38) MAP3K12PIK3CAJAK2TYK2
SCHEMBL24962095 0.75 SMPD3 (0.38) MAP3K12PIK3CAJAK2TYK2
SCHEMBL25908367 0.74 PIK3CA (0.36) DPP4MAP3K12PIK3CAPIK3R1
SCHEMBL25908450 0.73 MAP3K7 (0.43) DPP4MAP3K7

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-2023138343-A1 NEW TYPE PYRAZOLOPYRIMIDINE COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚尧生物科技有限公司 2023-07-27 WO disclosed