SCHEMBL30465997

SCHEMBL30465997

Nc1nc(N)c2cnn(C3CCC(N4CCOCC4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
PIK3CA P42336 6/20 0.39
MTOR P42345 6/20 0.39
PIK3CG P48736 3/20 0.39
MAPK14 Q16539 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
RET P07949 2/20 0.38
KDR P35968 2/20 0.38
PDE9A O76083 6/20 0.38
PDE1C Q14123 3/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
ATR Q13535 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL26102644 0.88 PDE1C (0.46) PDE9APDE1CPDE1APDE1B
SCHEMBL30455250 0.82 RET (0.49) RETKDR
SCHEMBL30466007 0.80 ALOX15 (0.54) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3750895 0.74 CDK4 (0.51) PIK3CAMTOR
SCHEMBL6108014 0.72 HRH3 (0.40) HRH3MTORRETKDR
SCHEMBL2950069 0.72 ADORA2A (0.49) HRH3
SCHEMBL16985541 0.71 IRAK4 (0.41) RETKDR
SCHEMBL3757216 0.71 CDK4 (0.48) PIK3CAMTOR
SCHEMBL4392941 0.70 FLT3 (0.47) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL30466004 0.69 IGF1R (0.49) RETKDR

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-2023128708-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-07-06 WO disclosed