SCHEMBL8326685

SCHEMBL8326685

Cn1c(NC[C@@H](N)Cc2ccccc2F)nc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.N[C@H](CNc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)[nH]1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 16/20 0.61
MAPK14 Q16539 4/20 0.61
MAPK9 P45984 3/20 0.61
MAPK13 O15264 3/20 0.61
MAP4K4 O95819 2/20 0.61
CSNK1D P48730 2/20 0.61
CDC42BPA Q5VT25 2/20 0.61
MINK1 Q8N4C8 2/20 0.61
MAPK12 P53778 2/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
LYN P07948 1/20 0.61
PRKACA P17612 1/20 0.61
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61
MAP3K10 Q02779 1/20 0.61
PRKCZ Q05513 1/20 0.61
PRKCD Q05655 1/20 0.61
CAMK2B Q13554 1/20 0.61
CAMK2G Q13555 1/20 0.61

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
SCHEMBL8328726 0.91 PRKCI (0.68) PRKCIMAPK14MAPK9MAPK13MAP4K4
SCHEMBL6936131 0.89 PRKCI (0.63) PRKCIMAPK14MAPK9MAPK13MAP4K4
SCHEMBL6936127 0.89 PRKCI (0.63) PRKCIMAPK14MAPK9MAPK13MAP4K4
Hydrochloric Acid SCHEMBL6934870 0.88 PRKCI (0.62) PRKCIMAPK14MAPK9MAPK13MAP4K4
Hydrochloric Acid SCHEMBL6934877 0.88 PRKCI (0.62) PRKCIMAPK14MAPK9MAPK13MAP4K4
Hydrochloric Acid SCHEMBL6934873 0.88 PRKCI (0.62) PRKCIMAPK14MAPK9MAPK13MAP4K4
SCHEMBL6931267 0.87 PRKCI (0.79) PRKCIMAPK14MAPK9MAPK13MAP4K4
SCHEMBL6931274 0.87 PRKCI (0.79) PRKCIMAPK14MAPK9MAPK13MAP4K4
SCHEMBL6931272 0.87 PRKCI (0.79) PRKCIMAPK14MAPK9MAPK13MAP4K4
Hydrochloric Acid SCHEMBL6934785 0.86 PRKCI (0.77) PRKCIMAPK14MAPK9MAPK13MAP4K4

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