SCHEMBL4552947

SCHEMBL4552947

Nc1ncnc2c1c(CI)nn2Cc1nc2c(F)cccc2nc1-c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.62
PIK3CG P48736 10/20 0.44
BTK Q06187 1/20 0.38
PIK3C2B O00750 2/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL1597902 0.90 PIK3CD (0.62) PIK3CDPIK3CGBTKPIK3C2B
SCHEMBL1598342 0.87 PIK3CD (0.58) PIK3CDPIK3CGBTKPIK3C2B
SCHEMBL1598125 0.83 PIK3CD (0.66) PIK3CDPIK3CGPIK3C2B
SCHEMBL1596827 0.80 PIK3CD (0.77) PIK3CDPIK3CGPIK3C2B
SCHEMBL13973987 0.80 PIK3CG (0.65) PIK3CDPIK3CGPIK3C2B
SCHEMBL1598104 0.79 PIK3CD (0.61) PIK3CDPIK3CG
SCHEMBL4563468 0.77 PIK3CD (0.47) PIK3CDPIK3CGPIK3C2BMAPK13MAPK12
SCHEMBL1598996 0.77 PIK3CD (0.72) PIK3CDPIK3CGPIK3C2B
SCHEMBL1598173 0.76 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2B
SCHEMBL1597854 0.76 PIK3CD (0.59) PIK3CDPIK3CGBTKPIK3C2B

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-2132207-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-16 EP disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 WO disclosed