SCHEMBL13690332

SCHEMBL13690332

Cc1ccc(-c2nn(C(C)C)c3c2CCc2nc(NC(=O)NCCN(C)C)sc2-3)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
PI4KB Q9UBF8 5/20 0.36
PI4KA P42356 1/20 0.36
LCK P06239 1/20 0.34
PIK3CG P48736 4/20 0.33
PIK3CD O00329 4/20 0.33
PIK3CA P42336 3/20 0.33
MAPK1 P28482 2/20 0.33
PIK3CB P42338 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ATM Q13315 1/20 0.32
AURKA O14965 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.32
CCNA1 P78396 1/20 0.32
PIK3C2A O00443 1/20 0.31
PIK3C2B O00750 1/20 0.31
DYRK3 O43781 1/20 0.31

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
SCHEMBL4547280 0.95 PIK3CG (0.39) ABL1PI4KBPI4KAPIK3CGPIK3CD
SCHEMBL10182678 0.90 PIK3CG (0.37) ABL1PI4KBPI4KAPIK3CG
SCHEMBL4550901 0.88 ALDH1A1 (0.35) PI4KBPI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL4550836 0.88 ACHE (0.35) PI4KBPI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL4547347 0.88 CYP3A4 (0.35) ABL1PI4KBPIK3CGPIK3CDPIK3CA
SCHEMBL10182250 0.88 AURKA (0.35) PI4KBPI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL4550902 0.87 ALDH1A1 (0.34) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL10182526 0.87 AURKA (0.35) PI4KBPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4547345 0.86 AURKA (0.36) PI4KBPI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL4547235 0.86 PIK3CG (0.39) PIK3CGPIK3CDPIK3CAPIK3CBAURKA

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-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO disclosed