SCHEMBL13826017

SCHEMBL13826017

CNc1ncc(-c2nn(C)c3ncnc(N)c23)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.58
PIK3CA P42336 14/20 0.58
PIK3CB P42338 14/20 0.58
PRKDC P78527 14/20 0.58
PIK3CG P48736 13/20 0.58
ABL1 P00519 11/20 0.58
EGFR P00533 11/20 0.58
HCK P08631 11/20 0.58
SRC P12931 11/20 0.58
MTOR P42345 11/20 0.58
EPHB4 P54760 11/20 0.58
KDR P35968 10/20 0.58
PI4KB Q9UBF8 4/20 0.53
NUDT14 O95848 1/20 0.53
NUDT5 Q9UKK9 1/20 0.53
RET P07949 2/20 0.48
AURKA O14965 1/20 0.46
IKBKE Q14164 1/20 0.46
AURKB Q96GD4 1/20 0.46
HDAC1 Q13547 1/20 0.43

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
SCHEMBL130502 0.85 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL130503 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL130618 0.82 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL129581 0.81 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL13826048 0.81 NUDT14 (0.63) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL23917419 0.77 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL128512 0.77 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL18874071 0.77 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL409367 0.77 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG
SCHEMBL12366 0.77 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPRKDCPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed