SCHEMBL3346431

SCHEMBL3346431

O=C(O)c1cn2nccc2nc1-c1ccc(C#Cc2cccc(Cl)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN9 P43378 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
KIT P10721 1/20 0.35
DDR1 Q08345 1/20 0.35
GRM5 P41594 11/20 0.34
HAO1 Q9UJM8 2/20 0.34
CYP2C9 P11712 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL3348921 0.89 IKBKB (0.39) PTPRCPTPN2PTPN1PTPN6PTPN9
SCHEMBL3354223 0.80 GRM5 (0.40) GRM5HAO1CYP2C9
SCHEMBL3354005 0.77
SCHEMBL3347324 0.77 DYRK1A (0.42) GRM5
SCHEMBL3351328 0.77 CYP2A6 (0.34)
SCHEMBL3351713 0.67 KCNN3 (0.38) GRM5
SCHEMBL25331092 0.66 ALDH1A1 (0.44)
SCHEMBL3347239 0.65 DYRK1A (0.45) GRM5
SCHEMBL3346913 0.65 DYRK1A (0.42) KITDDR1GRM5
SCHEMBL3348434 0.65 GRM5 (0.54) GRM5

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed