SCHEMBL12963003

SCHEMBL12963003

Cc1cccc(Nc2nc(C)nc(Nc3ccccc3Cl)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.60
POLB P06746 2/20 0.54
KCNH3 Q9ULD8 1/20 0.52
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
IGF1R P08069 1/20 0.48
AURKA O14965 4/20 0.47
AURKB Q96GD4 2/20 0.47
SLC2A1 P11166 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOD1 Q9Y239 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.46

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
SCHEMBL4544823 0.96 NFKB1 (0.65) NFKB1POLBKCNH3TSHRCA12
SCHEMBL4544866 0.90 NFKB1 (0.58) NFKB1POLBKCNH3TSHRCA12
SCHEMBL12154884 0.87 TSHR (0.57) NFKB1KCNH3TSHRIGF1RAURKA
SCHEMBL4544871 0.86 NFKB1 (0.53) NFKB1POLBKCNH3TSHRCA12
SCHEMBL14401572 0.86 NFKB1 (0.53) NFKB1POLBKCNH3TSHRCA12
SCHEMBL12642717 0.86 NFKB1 (0.55) NFKB1POLBKCNH3AURKAAURKB
SCHEMBL821689 0.85 NFKB1 (0.69) NFKB1POLBKCNH3CA12CA1
SCHEMBL12530695 0.84 KCNH3 (0.70) NFKB1POLBKCNH3CA12CA1
SCHEMBL12530514 0.83 ABL1 (0.50) NFKB1TSHRIGF1RAURKAAURKB
SCHEMBL12530609 0.82 NFKB1 (0.67) NFKB1POLBKCNH3CA12CA1

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
WO-2011010751-A1 VA-MODE LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-01-27 WO disclosed
WO-2009001952-A1 LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2008-12-31 WO disclosed