SCHEMBL252863

SCHEMBL252863

Cc1c(N2CCCCC2O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 16/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL247517 0.88 PIK3CD (0.40) PIK3CDPIK3CA
SCHEMBL245631 0.88 PIK3CD (0.40) PIK3CDPIK3CA
SCHEMBL247385 0.86 PIK3CD (0.38) PIK3CDPIK3CA
SCHEMBL247584 0.86 PIK3CD (0.38) PIK3CDPIK3CA
SCHEMBL246190 0.85 ATR (0.38) PIK3CDPIK3CACCNT1CCNA2CDK2
SCHEMBL247892 0.85 ATR (0.38) PIK3CDPIK3CACCNT1CCNA2CDK2
SCHEMBL14839991 0.83 PIK3CD (0.41) PIK3CDPIK3CACCNT1CCNA2CDK2
SCHEMBL248451 0.83 PIK3CA (0.51) PIK3CDPIK3CA
SCHEMBL248910 0.83 PIK3CA (0.51) PIK3CDPIK3CA
SCHEMBL247889 0.82 PIK3CA (0.49) PIK3CDPIK3CA

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed