SCHEMBL3351037

SCHEMBL3351037

O=CCN1CCC(Nc2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
ERBB2 P04626 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
AXL P30530 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
STK17A Q9UEE5 2/20 0.44
STK17B O94768 1/20 0.44
BCL6 P41182 2/20 0.44
BTK Q06187 1/20 0.42
SYK P43405 4/20 0.42
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
CSNK2A1 P68400 1/20 0.41
INSR P06213 1/20 0.41
ALK Q9UM73 1/20 0.41
ULK1 O75385 1/20 0.40

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
SCHEMBL3351030 0.83 SYK (0.59) EGFRERBB2HPGDHTTAURKA
SCHEMBL3449008 0.81 FLT3 (0.48) EGFRERBB2HPGDHTTSTK17A
SCHEMBL3449012 0.81 FLT3 (0.48) EGFRERBB2HPGDHTTSTK17A
SCHEMBL3450155 0.78 SELP (0.48) EGFRERBB2HPGDHTTAXL
SCHEMBL3447819 0.78 SELP (0.48) EGFRERBB2HPGDHTTAXL
SCHEMBL3449528 0.78 SELP (0.48) EGFRERBB2HPGDHTTAXL
SCHEMBL3344593 0.74 STK17A (0.60) AXLSTK17ASTK17BSYKULK1
SCHEMBL3375644 0.72 STK17A (0.56) AXLSTK17ASTK17BSYKINSR
SCHEMBL3449683 0.72 AXL (0.62) EGFRAXLSTK17ASTK17B
SCHEMBL3449182 0.72 STK17A (0.52) EGFRAXLSTK17ASTK17BULK1

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-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed