SCHEMBL3818459

SCHEMBL3818459

Nc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1C(=O)N[C@]1(C2CCNCC2)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 10/20 0.47
TYRO3 Q06418 8/20 0.46
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
ROS1 P08922 1/20 0.43
FER P16591 1/20 0.43
FLT1 P17948 1/20 0.43
AXL P30530 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK9 P45984 1/20 0.43
IRAK1 P51617 1/20 0.43

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
SCHEMBL3460008 0.83 TYRO3 (0.62) ATRTYRO3LDHALDHBJAK2
SCHEMBL3460865 0.82 TYRO3 (0.66) ATRTYRO3LDHALDHBJAK2
SCHEMBL3855830 0.82 ATR (0.44) ATRTYRO3LDHALDHBJAK2
SCHEMBL3460391 0.80 ATR (0.56) ATRTYRO3LDHALDHBJAK2
SCHEMBL3462250 0.80 ATR (0.56) ATRTYRO3LDHALDHBJAK2
SCHEMBL3462046 0.79 ATR (0.68) ATRTYRO3LDHALDHB
SCHEMBL3459957 0.77 ATR (0.68) ATRLDHALDHBJAK2MAP4K4
SCHEMBL3461440 0.77 ATR (0.55) ATRTYRO3LDHALDHBPKN2
SCHEMBL3459712 0.77 LDHA (0.63) ATRLDHALDHBJAK2MAP4K4
SCHEMBL3460658 0.77 ATR (0.56) ATRLDHALDHBJAK2MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO disclosed