SCHEMBL5129286

SCHEMBL5129286

CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(O)c3c2)cc1.CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(OC(C)C)c3c2)cc1.CC(=O)Nc1nc(OC2CCCC2)c2cc(-c3ccc(F)cc3)ccc2n1.COCCOc1nc(NC(C)=O)nc2ccc(-c3ccc(NC(C)=O)cc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPR1 P16066 5/20 0.35
NPR3 P17342 1/20 0.34
ABL1 P00519 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
MOK Q9UQ07 1/20 0.33
ATM Q13315 6/20 0.32
RIPK1 Q13546 1/20 0.32
MAPK1 P28482 2/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL5127968 0.84 CNR1 (0.35)
SCHEMBL3334512 0.81 ABL1 (0.42) NPR1ABL1ATMRIPK1
SCHEMBL3334949 0.80 BRAF (0.43) MOKNAMPT
SCHEMBL3334852 0.80 MAPK14 (0.41) MALT1MAPK1NAMPT
SCHEMBL3336288 0.79 MOK (0.47) MALT1MOKATM
SCHEMBL5127946 0.78 ACHE (0.37) RIPK1
SCHEMBL3335966 0.77 ADORA3 (0.40) NPR1MAPK1NAMPT
SCHEMBL3338081 0.76 BRAF (0.46)
SCHEMBL5131738 0.73 PDGFRB (0.45) MOK
SCHEMBL3335706 0.72 NAMPT (0.42) NAMPT

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 disclosed