SCHEMBL8896696

SCHEMBL8896696

Cc1cc(C2CC2)nc(N(C)c2cccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
GRM5 P41594 2/20 0.33
KCNA5 P22460 1/20 0.33
CYP2A6 P11509 1/20 0.33
GSK3B P49841 1/20 0.33
CYP3A4 P08684 2/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP11B2 P19099 1/20 0.32
IGF1R P08069 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8895128 0.86 CYP3A4 (0.34) DYRK1ACYP2A6GSK3BCYP3A4KMT2A
SCHEMBL8817826 0.75 ALOX5AP (0.31)
SCHEMBL9043406 0.74 POLB (0.35) TSHRKMT2ANPSR1IGF1RL3MBTL1
SCHEMBL8987728 0.72 POLB (0.38) TSHRKMT2ANPSR1L3MBTL1
SCHEMBL9043112 0.72 ADORA2A (0.37) TSHRKMT2ASMN1; SMN2NPSR1MAPK1
SCHEMBL27311061 0.72 POLB (0.35) TSHRKMT2ASMN1; SMN2NPSR1MAPK1
SCHEMBL3553376 0.71 GRM5 (0.40) DYRK1AGRM5KCNA5CYP2A6CYP3A4
SCHEMBL8895354 0.70 TAAR1 (0.40) GSK3BTSHRKMT2AIGF1RMAPK1
SCHEMBL9043151 0.70 HTT (0.34) TSHRKMT2ASMN1; SMN2NPSR1IGF1R
SCHEMBL9044240 0.70 HCRTR1 (0.36) L3MBTL1

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-1997049696-A1 PYRIDYLAMINOPYRIMIDINES AS FUNGICIDES ZENECA LIMITED (GB) 1997-12-31 WO disclosed