SCHEMBL8090573

SCHEMBL8090573

Nc1cc(C2(S(=O)(=O)c3ccc(F)cc3)CC2)nc(-c2cnc(NC(=O)NC3CC3)nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
RORC P51449 11/20 0.40
PIK3R1 P27986 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL8099954 0.91 ABL1 (0.40) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8098812 0.88 NPC1 (0.43) RORCSMN1; SMN2CA12CA1CA2
SCHEMBL8099578 0.85 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8091877 0.81 PIK3CA (0.39) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3927202 0.81 MTOR (0.46) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8093179 0.79 RAB9A (0.42) PIK3CAMTORGAASMN1; SMN2CA12
SCHEMBL8092946 0.79 ABL1 (0.41) PIK3CARORCPIK3R1PSEN1PSEN2
SCHEMBL8099405 0.78 EPHX1 (0.42) PIK3CAMTORRORCLMNAGAA
SCHEMBL8099487 0.78 CA12 (0.42) GAASMN1; SMN2CA12CA1CA2
SCHEMBL8083200 0.76 ALDH1A1 (0.43) PIK3CAMTORPIK3CGPIK3R1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed