SCHEMBL9977698

SCHEMBL9977698

Nc1nc(-c2n[nH]c3ncc(F)cc23)ncc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.35
PIK3CA P42336 5/20 0.35
GSK3A P49840 12/20 0.34
GSK3B P49841 12/20 0.34
FLT3 P36888 10/20 0.34
JAK2 O60674 7/20 0.34
SRC P12931 6/20 0.34
PLK1 P53350 6/20 0.34
PIK3CD O00329 6/20 0.34
PRKACA P17612 5/20 0.34
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 5/20 0.34
KDR P35968 4/20 0.34
PIK3CB P42338 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CDK2 P24941 1/20 0.32
SYK P43405 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
SCHEMBL9977736 0.86 GSK3A (0.35) PIK3CGPIK3CAGSK3AGSK3BFLT3
SCHEMBL19250682 0.86 SGK1 (0.33)
SCHEMBL19250804 0.86 NOS3 (0.33) PIK3CA
SCHEMBL17403252 0.83 GSK3A (0.33) PIK3CGPIK3CAGSK3AGSK3BFLT3
SCHEMBL19250832 0.82 SGK1 (0.30)
SCHEMBL19250685 0.82 SGK1 (0.30)
SCHEMBL19255693 0.81 EGFR (0.31)
SCHEMBL19244048 0.80
SCHEMBL9977719 0.80 ATR (0.34) PIK3CGPIK3CAPIK3CDPIK3CBCDK2
SCHEMBL22894098 0.79 GSK3A (0.39) PIK3CGPIK3CAGSK3AGSK3BFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502112-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVE Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-06-26 EP disclosed
WO-2017134226-A1 ASSAY FOR COMPOUNDS HAVING ACTIVITY AGAINST INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed