SCHEMBL7950076

SCHEMBL7950076

CC(=O)c1c(-c2ccc(F)cc2)ncn1C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
CSNK1D P48730 2/20 0.46
CSNK1E P49674 1/20 0.46
MAPK13 O15264 6/20 0.45
MAPK12 P53778 6/20 0.45
MAPK11 Q15759 6/20 0.45
TGFBR1 P36897 10/20 0.41
TGFBR2 P37173 4/20 0.40
KDM4E B2RXH2 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRKCA P17252 1/20 0.36
CYP2C19 P33261 1/20 0.36
FRK P42685 1/20 0.36

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
SCHEMBL1640914 0.79 TGFBR1 (0.46) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1640844 0.75 MAPK14 (0.44) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL1640318 0.74 TGFBR1 (0.58) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL6953086 0.73 MAPK14 (0.64) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL7942534 0.73 MAPK14 (0.50) MAPK14TGFBR1
SCHEMBL8177432 0.72 MAPK14 (0.72) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL7950070 0.72 MAPK14 (0.58) MAPK14CSNK1DCSNK1EEGFR
SCHEMBL4916626 0.72 MAPK14 (1.00) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6958734 0.71 MAPK14 (0.62) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL6957542 0.71 MAPK14 (0.65) MAPK14CSNK1DCSNK1EMAPK13MAPK12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255491-B1 CHEMICAL INTERMEDIATES SUCH AS 1-(SUBSTITUTED), 4-ARYL, 5-(3-N,N-DISUBSTITUTED AMINO-1-PROPENONE) IMIDAZOLE, USEFUL FOR MAKING 5-PYRIMIDINYL IMIDAZOLES SMITHKLINE BEECHAM CORPORATION 2001-07-03 US disclosed
US-6239279-B1 THERAPY FOR CYTOKINE SENSITIVE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-29 US disclosed
US-6100399-A Synthesis for 4-aryl-5-pyrimidine imidazole substituted compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-08-08 US disclosed
US-5917043-A INTERMEDIATES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed