SCHEMBL4753976

SCHEMBL4753976

Cc1cc(-c2cnc(Nc3ccc(S(=O)(=O)N(CC4CCCO4)C4CCN(C)CC4)cc3)nc2N)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 18/20 0.42
AXL P30530 1/20 0.41
MET P08581 1/20 0.40
MERTK Q12866 1/20 0.40
SRC P12931 2/20 0.38
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
TYK2 P29597 1/20 0.38
ALK Q9UM73 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
SCHEMBL4753974 0.90 AXL (0.46) TNK2AXLMETMERTKSRC
SCHEMBL4708985 0.84 AXL (0.41) TNK2AXLJAK2
SCHEMBL4882127 0.84 CDK4 (0.43) TNK2JAK2
SCHEMBL14020280 0.78 MEN1 (0.43) TNK2SRCCHEK1JAK2ABL1
SCHEMBL4708984 0.75 AXL (0.46) AXLJAK2
SCHEMBL14020290 0.74 CDK2 (0.42) TNK2JAK2
SCHEMBL4789757 0.74 PTGS2 (0.41) AXLJAK2
SCHEMBL4623357 0.71 JAK2 (0.48) AXLJAK2
Hydrochloric Acid SCHEMBL4881375 0.71 JAK2 (0.47) AXLJAK2
SCHEMBL4882009 0.70 CDK2 (0.41) TNK2SRCCHEK1JAK2ABL1

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
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO disclosed