SCHEMBL2773029

SCHEMBL2773029

Cc1nc(Nc2cccc(F)c2)cc(-c2c(Nc3cc[nH]n3)nc3cccnn23)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.56
MTOR P42345 12/20 0.56
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GRM4 Q14833 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL754194 0.91 PIK3CA (0.55) PIK3CAMTORMAPTTP53LMNA
SCHEMBL756343 0.90 PIK3CA (0.60) PIK3CAMTORMAPTTP53LMNA
SCHEMBL2773798 0.89 PIK3CA (0.61) PIK3CAMTORMAPTTP53LMNA
SCHEMBL2772795 0.88 PIK3CA (0.72) PIK3CAMTORMAPTTP53LMNA
SCHEMBL2771543 0.85 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL11031708 0.85 PIK3CA (0.56) PIK3CAMTORMAPTTP53ABCG2
SCHEMBL749520 0.85 PIK3CA (0.52) PIK3CAMTORMAPTTP53
SCHEMBL754608 0.84 PIK3CA (0.55) PIK3CAMTORMAPK13MAPK12MAPK11
SCHEMBL2776327 0.84 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL2772495 0.83 PIK3CA (0.57) PIK3CAMTORMAPK13MAPK12MAPK11

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-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed