SCHEMBL8326545

SCHEMBL8326545

Cn1c(N[C@@H](CCc2ccccc2)C2CCCN2)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.43
MAPK9 P45984 3/20 0.43
MAPK13 O15264 3/20 0.43
MAP4K4 O95819 2/20 0.43
CSNK1D P48730 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
MAPK12 P53778 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LYN P07948 1/20 0.43
PRKACA P17612 1/20 0.43
PRKCI P41743 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
MAP3K10 Q02779 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 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
SCHEMBL6931588 1.00 MAPK14 (0.43) MAPK14MAPK9MAPK13MAP4K4CSNK1D
Hydrochloric Acid SCHEMBL6935153 0.99 MAPK14 (0.42) MAPK14MAPK9MAPK13MAP4K4CSNK1D
Hydrochloric Acid SCHEMBL6935148 0.99 MAPK14 (0.42) MAPK14MAPK9MAPK13MAP4K4CSNK1D
Hydrochloric Acid SCHEMBL6935133 0.99 MAPK14 (0.42) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL6933664 0.82 MAPK14 (0.50) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL6933665 0.82 MAPK14 (0.50) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL6646514 0.76 MAPK14 (0.56) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL6937774 0.76 MAPK14 (0.45) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL8327447 0.75 GSK3B (0.53) MAPK14MAPK9MAPK13MAP4K4CSNK1D
SCHEMBL6931494 0.75 MAPK14 (0.54) MAPK14MAPK9MAPK13MAP4K4CSNK1D

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
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed