SCHEMBL6876646

SCHEMBL6876646

CN(C)c1ccnc(NC2CCC(NC(=O)COCc3ccccc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.42
MAPK9 P45984 4/20 0.42
MAPK10 P53779 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 3/20 0.40
MCHR1 Q99705 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
BACE1 P56817 2/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6876639 1.00 MAPK8 (0.42) MAPK8MAPK9MAPK10L3MBTL1TSHR
SCHEMBL6874044 0.88 AURKA (0.50) MAPK8MAPK9MAPK10MCHR1CYP2C9
SCHEMBL6874037 0.88 AURKA (0.50) MAPK8MAPK9MAPK10MCHR1CYP2C9
SCHEMBL6455514 0.87 LMNA (0.50) SMN1; SMN2MCHR1HPGDHTTRAB9A
SCHEMBL6455521 0.87 LMNA (0.50) SMN1; SMN2MCHR1HPGDHTTRAB9A
SCHEMBL6867773 0.86 ALDH1A1 (0.54) MAPK8MAPK9MAPK10TSHRACHE
SCHEMBL6877131 0.85 EPHX2 (0.47) MAPK8MAPK9MAPK10MCHR1CYP2C9
SCHEMBL6877124 0.85 EPHX2 (0.47) MAPK8MAPK9MAPK10MCHR1CYP2C9
SCHEMBL7046160 0.82 AURKB (0.47) MAPK8MAPK9MAPK10ACHEMCHR1
SCHEMBL7046163 0.82 AURKB (0.47) MAPK8MAPK9MAPK10ACHEMCHR1

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed