SCHEMBL15864461

SCHEMBL15864461

Cc1cccc2nc(CCCNC(=O)O)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.53
PIK3R1 P27986 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
PDE10A Q9Y233 3/20 0.44
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIK3CG P48736 1/20 0.42

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
SCHEMBL15818242 0.93 PIK3CD (0.55) PIK3CDPIK3R1LMNAMAPK1SMN1; SMN2
SCHEMBL16584706 0.90 PIK3CD (0.67) PIK3CDPIK3R1LMNASMN1; SMN2PDE10A
SCHEMBL15818750 0.89 PIK3CD (0.46) PIK3CDPIK3R1LMNAMAPK1SMN1; SMN2
SCHEMBL20595353 0.88 LMNA (0.44) PIK3CDLMNAMAPK1SMN1; SMN2PDE10A
SCHEMBL16586945 0.88 LMNA (0.44) PIK3CDLMNAMAPK1SMN1; SMN2PDE10A
SCHEMBL16584915 0.88 PDE10A (0.52) PIK3CDPIK3R1LMNAMAPK1PDE10A
SCHEMBL20595441 0.86 LMNA (0.43) PIK3CDLMNAMAPK1SMN1; SMN2PDE10A
SCHEMBL20595345 0.86 LMNA (0.43) PIK3CDPIK3R1LMNAMAPK1SMN1; SMN2
SCHEMBL20595317 0.85 PDE10A (0.43) PIK3CDPIK3R1LMNAMAPK1SMN1; SMN2
SCHEMBL18076650 0.85 MAPK1 (0.61) LMNAMAPK1SMN1; SMN2PDE10AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed
WO-2014106800-A2 SUBSTITUTED 2-AMINO PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-10 WO disclosed