SCHEMBL6901268

SCHEMBL6901268

C[C@H](Nc1cc(-c2c(-c3ccc(F)cc3)nnn2CCN)ccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.63
MAPK13 O15264 5/20 0.63
MAPK12 P53778 5/20 0.63
MAPK11 Q15759 5/20 0.63
CSNK1D P48730 1/20 0.54
EGFR P00533 1/20 0.52
RAF1 P04049 1/20 0.52
ERBB2 P04626 1/20 0.52
SRC P12931 1/20 0.52
KDR P35968 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52

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
SCHEMBL6901274 1.00 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6615969 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6615964 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6783821 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6783824 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6784607 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6784602 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2848864 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2845641 0.75 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2841711 0.74 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CSNK1D

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
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 US disclosed