SCHEMBL5131263

SCHEMBL5131263

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OCC4CC4)c3c2)cc1.CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OCCN4CCOCC4)c3c2)cc1.CCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12.COCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
HTR4 Q13639 3/20 0.44
HTR2A P28223 1/20 0.44
PDGFRB P09619 2/20 0.41
MOK Q9UQ07 6/20 0.41
TRIM58 Q8NG06 1/20 0.40
PIK3CA P42336 1/20 0.39
JAK2 O60674 1/20 0.39
MTOR P42345 1/20 0.39
GRM4 Q14833 1/20 0.39
JAK1 P23458 1/20 0.38
ATM Q13315 1/20 0.38
CNR2 P34972 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
SCHEMBL3336361 0.87 MOK (0.51) MOKPIK3CAJAK2MTORGRM4
SCHEMBL5146071 0.86 MAP3K11 (0.45) KCNH2HTR4HTR2ATRIM58PIK3CA
SCHEMBL3337025 0.82 TRIM58 (0.56) KCNH2HTR4HTR2ATRIM58
SCHEMBL3334893 0.80 MAPK14 (0.49) KCNH2HTR2AMOKPIK3CAGRM4
SCHEMBL3336288 0.80 MOK (0.47) MOKGRM4ATM
SCHEMBL3339979 0.79 KIT (0.48) PIK3CA
SCHEMBL3339873 0.79 MOK (0.50) MOKPIK3CAJAK2MTORGRM4
SCHEMBL5127444 0.79 AVPR1B (0.39) KCNH2HTR4HTR2AMOKTRIM58
SCHEMBL3331750 0.77 TTK (0.48) MOK
SCHEMBL5131738 0.76 PDGFRB (0.45) PDGFRBMOKPIK3CAJAK2GRM4

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-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed