SCHEMBL28029528

SCHEMBL28029528

NC(=O)c1ccc(-c2cccc(N)c2)c(-c2cccc(N)c2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
PARP1 P09874 1/20 0.43
PLK4 O00444 1/20 0.43
EGFR P00533 1/20 0.43
ROS1 P08922 1/20 0.43
PIM1 P11309 1/20 0.43
AXL P30530 1/20 0.43
FLT3 P36888 1/20 0.43
FRK P42685 1/20 0.43
MAP4K2 Q12851 1/20 0.43
NTRK3 Q16288 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
AURKB Q96GD4 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
STK17A Q9UEE5 1/20 0.43
ALK Q9UM73 1/20 0.43
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8724979 0.91 BCAT2 (0.42) MKNK2IKBKBBCAT2BTKPLA2G2A
SCHEMBL18045544 0.88 MAP4K4 (0.43) MAP4K4PARP1PLK4EGFRROS1
SCHEMBL27895545 0.83 PARP1 (0.49) MAP4K4PARP1PLK4EGFRROS1
SCHEMBL27919911 0.82 MAP4K4 (0.50) MAP4K4PARP1PLK4EGFRROS1
SCHEMBL17744866 0.82 MCL1 (0.51) MAP4K4MCL1SMN1; SMN2MAOAMAPT
SCHEMBL3792146 0.79 MAP4K4 (0.48) MAP4K4PARP1PLK4EGFRROS1
SCHEMBL3790353 0.79 MAP4K4 (0.48) MAP4K4PARP1PLK4EGFRROS1
SCHEMBL4152514 0.79 BCAT2 (0.56) PARP1IKBKBBCAT2PLA2G2APLA2G10
SCHEMBL28029850 0.78 BCAT2 (0.38) PARP1MKNK2IKBKBBCAT2BTK
SCHEMBL31151826 0.77 MAP4K4 (0.49) MAP4K4PARP1PLK4EGFRROS1

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
CN-103026291-B Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-19 CN disclosed