SCHEMBL25908694

SCHEMBL25908694

Cc1n[nH]c(C)c1-c1cc(N2C[C@@H]3C[C@H]2CO3)nc2ccnn12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.45
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
MAP3K12 Q12852 13/20 0.39
LRRK2 Q5S007 2/20 0.38
ATR Q13535 1/20 0.37
MAP3K13 O43283 1/20 0.36
DLK1 P80370 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
SCHEMBL25908696 0.82 MAP3K7 (0.44) MAP3K7PIK3R1PIK3CAMAP3K12DLK1
SCHEMBL25908487 0.79 CCNT1 (0.38) LRRK2ATR
SCHEMBL25160195 0.79 ATR (0.53) ATR
SCHEMBL25908450 0.78 MAP3K7 (0.43) MAP3K7LRRK2
SCHEMBL25908698 0.76 ATR (0.45) MAP3K7PIK3R1PIK3CAATR
SCHEMBL25908309 0.72 PDE10A (0.49)
SCHEMBL25908428 0.69 MAP3K12 (0.44) PIK3R1PIK3CAMAP3K12MAP3K13
SCHEMBL25908430 0.69 MAP3K12 (0.44) PIK3R1PIK3CAMAP3K12MAP3K13
SCHEMBL30705231 0.67 MAP3K12 (0.43) MAP3K12LRRK2MAP3K13DLK1
SCHEMBL29768061 0.67 MAP3K12 (0.43) MAP3K12LRRK2MAP3K13DLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4467545-A1 NEW TYPE PYRAZOLOPYRIMIDINE COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Yayo Biotechnology Co. Ltd (CN) 2024-11-27 EP disclosed
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
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