SCHEMBL2772161

SCHEMBL2772161

COc1ccnc(Nc2cc(-c3c(Nc4cc[nH]n4)nc4cccnn34)nc(C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.59
MTOR P42345 12/20 0.59
MAP3K12 Q12852 2/20 0.38
PLA2G2A P14555 4/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL2773798 0.90 PIK3CA (0.61) PIK3CAMTORTP53MAPT
SCHEMBL751215 0.89 PIK3CA (0.58) PIK3CAMTORTP53MAPTTRPV4
SCHEMBL11025368 0.88 PIK3CA (0.75) PIK3CAMTORTP53MAPT
SCHEMBL11031708 0.88 PIK3CA (0.56) PIK3CAMTORTP53MAPT
SCHEMBL11024686 0.88 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL2772495 0.88 PIK3CA (0.57) PIK3CAMTORMAP3K12
SCHEMBL754608 0.86 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL2788748 0.85 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL2776327 0.85 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL2771543 0.84 PIK3CA (0.69) PIK3CAMTOR

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