SCHEMBL12192511

SCHEMBL12192511

Nc1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.54
MAPK9 P45984 1/20 0.54
LCK P06239 1/20 0.53
JAK2 O60674 8/20 0.53
JAK1 P23458 5/20 0.53
PLK4 O00444 2/20 0.51
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
JAK3 P52333 5/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL374117 0.83 CD274 (0.57) MAPK10MAPK9LCKJAK2JAK1
SCHEMBL374409 0.80 CD274 (0.59) MAPK10LCKJAK2JAK1JAK3
SCHEMBL2194198 0.77 JAK2 (0.56) MAPK10LCKJAK2JAK1JAK3
SCHEMBL27681354 0.77 JAK1 (0.53) MAPK10MAPK9LCKJAK2JAK1
SCHEMBL28290063 0.76 JAK2 (0.67) JAK2JAK1PLK4JAK3
SCHEMBL2178686 0.75 JAK3 (0.63) MAPK10JAK2JAK1JAK3CD274
SCHEMBL12482572 0.75 JAK2 (0.62) MAPK10JAK2JAK1JAK3CD274
SCHEMBL13300755 0.74 CCNA2 (0.77) MAPK10MAPK9AURKAAURKBIGF1R
SCHEMBL12482797 0.74 JAK2 (0.53) MAPK10JAK2JAK1AURKAAURKB
SCHEMBL8799812 0.74 JAK2 (0.53) MAPK10LCKJAK2JAK1JAK3

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
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed