SCHEMBL4564816

SCHEMBL4564816

CC(C)[CH]CCNc1nccc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.54
PIK3CA P42336 5/20 0.54
PIK3CB P42338 5/20 0.54
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKT3 Q9Y243 3/20 0.41
CCR4 P51679 5/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
EIF2AK2 P19525 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL8230866 0.76 PIK3CA (0.47) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL5093415 0.75 PIK3CA (0.55) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL13588449 0.75 PIK3CA (0.47) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL4380274 0.74 PIK3CA (0.53) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL13588448 0.73 PIK3CA (0.52) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL4385243 0.70 JAK2 (0.63) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL4387875 0.68 PIK3CA (0.46) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL443407 0.68 MAPT (0.60) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL8239154 0.67 L3MBTL1 (0.46) PIK3CGPIK3CAPIK3CBMAPTMEN1
SCHEMBL4583186 0.66 PIK3CA (0.44) PIK3CGPIK3CAPIK3CBMAPTMEN1

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed