SCHEMBL25908309

SCHEMBL25908309

Cc1n[nH]c(C)c1-c1cc(Cl)nc2ccnn12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
KCNN3 Q9UGI6 14/20 0.43
KCNN1 Q92952 2/20 0.41
KCNN2 Q9H2S1 2/20 0.41
CHEK1 O14757 1/20 0.36
AKT2 P31751 1/20 0.36
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL25908487 0.75 CCNT1 (0.38) PDE10ACCNT1CDK9
SCHEMBL25908450 0.74 MAP3K7 (0.43) PDE10ACCNT1CDK9
SCHEMBL25160195 0.73 ATR (0.53) CHEK1
SCHEMBL25908694 0.72 MAP3K7 (0.45)
SCHEMBL29344715 0.71 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CCNT1
SCHEMBL22855162 0.71 PDE10A (0.57) PDE10AKCNN3KCNN1KCNN2
SCHEMBL11467425 0.69 PDE10A (0.59) PDE10AKCNN3KCNN1KCNN2
SCHEMBL30974 0.68 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL14158199 0.67 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2CCNT1
SCHEMBL29869 0.67 PDE10A (1.00) PDE10AKCNN3KCNN1KCNN2CHEK1

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