SCHEMBL4056864

SCHEMBL4056864

NC(=O)c1nc(-c2cccnc2)nc2c1n(-c1nc(-c3cccc(O)c3)nc3c1[nH]c(=O)n3-c1ccc(Cl)cc1F)c(=O)n2-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
PIK3CD O00329 13/20 0.47
PIK3CB P42338 12/20 0.47
PIK3CG P48736 12/20 0.47
PIK3CA P42336 11/20 0.47
MAPT P10636 2/20 0.44
CSNK2A1 P68400 3/20 0.41
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL300834 0.80 PIK3CD (0.69) PIK3CDPIK3CBPIK3CGPIK3CAMAPT
SCHEMBL300978 0.77 PIK3CD (0.68) KDM4EPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL301232 0.77 KDM4E (0.75) KDM4EGLAPIK3CDPIK3CBPIK3CG
SCHEMBL301281 0.76 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CAMAPT
SCHEMBL301171 0.75 PIK3CD (0.75) KDM4EGLAPIK3CDPIK3CBPIK3CG
SCHEMBL300848 0.74 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CAMAPT
SCHEMBL300915 0.74 PIK3CD (0.72) KDM4EPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL301188 0.73 PIK3CD (0.78) KDM4EGLAPIK3CDPIK3CBPIK3CG
SCHEMBL301220 0.72 PIK3CD (0.70) KDM4EPIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL300955 0.71 PIK3CD (0.72) PIK3CDPIK3CBPIK3CGPIK3CAMAPT

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
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP claimed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO claimed