SCHEMBL14735787

SCHEMBL14735787

CC(=O)Nc1nc2ccc(-c3c[c]c(Cl)nc3)cc2s1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.68
CYP3A4 P08684 2/20 0.67
PIK3CG P48736 9/20 0.64
DYRK1A Q13627 1/20 0.60
FSCN1 Q16658 1/20 0.60
SMO Q99835 2/20 0.60

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
SCHEMBL1620345 0.85 PIK3CA (0.74) PIK3CACYP3A4PIK3CGDYRK1AFSCN1
SCHEMBL1621507 0.82 SMO (0.68) PIK3CACYP3A4PIK3CGSMO
SCHEMBL3142719 0.81 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL1621000 0.81 PIK3CG (0.69) PIK3CACYP3A4PIK3CGSMO
SCHEMBL1621665 0.81 PIK3CA (0.73) PIK3CACYP3A4PIK3CGSMO
SCHEMBL3131485 0.80 PIK3CA (1.00) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL3146741 0.80 PIK3CA (0.74) PIK3CACYP3A4PIK3CGDYRK1A
SCHEMBL1621634 0.80 PIK3CG (0.67) PIK3CACYP3A4PIK3CGDYRK1AFSCN1
SCHEMBL1620363 0.79 SMO (0.65) PIK3CACYP3A4PIK3CGSMO
SCHEMBL1621112 0.79 PIK3CG (0.79) PIK3CACYP3A4PIK3CGSMO

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
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP claimed