SCHEMBL14254239

SCHEMBL14254239

COc1cccc(-c2cccc(Nc3nccc(-c4ccc(OC)c([N+](=O)[O-])c4)n3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.60
PIK3CA P42336 5/20 0.60
PIK3CB P42338 5/20 0.60
SYK P43405 2/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CDK5 Q00535 2/20 0.52
PRKCA P17252 3/20 0.51
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
EGFR P00533 2/20 0.51
SRC P12931 1/20 0.51
PLK1 P53350 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CDK5R1 Q15078 1/20 0.49
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49
JAK2 O60674 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL14253938 0.95 PIK3CG (0.66) PIK3CGPIK3CAPIK3CBSYKMEN1
SCHEMBL14253939 0.92 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBSYKMEN1
SCHEMBL14254240 0.90 PIK3CG (0.53) PIK3CGPIK3CAPIK3CBMEN1KMT2A
SCHEMBL14253940 0.88 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBSYKMEN1
SCHEMBL14253937 0.87 PIK3CA (0.57) PIK3CGPIK3CAPIK3CBMEN1KMT2A
SCHEMBL14254189 0.87 JAK2 (0.55) PIK3CGPIK3CAPIK3CBSYKMEN1
SCHEMBL14253968 0.87 PIK3CG (0.57) PIK3CGPIK3CAPIK3CBMEN1KMT2A
SCHEMBL14253971 0.87 ABL1 (0.56) PIK3CGPIK3CAPIK3CBMEN1KMT2A
SCHEMBL14254192 0.86 PIK3CA (0.71) PIK3CGPIK3CAPIK3CBMEN1KMT2A
SCHEMBL14254219 0.85 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBSYKMEN1

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
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 US disclosed