SCHEMBL6173136

SCHEMBL6173136

Nc1nccc(-c2[nH]c(C3CCNCC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 1.00
MAPK12 P53778 10/20 1.00
MAPK11 Q15759 10/20 1.00
MAPK14 Q16539 10/20 1.00
MAPK9 P45984 7/20 1.00
CSNK1A1 P48729 1/20 0.75
CSNK1D P48730 1/20 0.75
RPS6KA3 P51812 1/20 0.75
RAF1 P04049 4/20 0.67
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
BRAF P15056 6/20 0.44

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
SCHEMBL6170595 0.87 MAPK14 (0.77) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6170994 0.86 MAPK14 (0.76) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL4936886 0.86 CSNK1A1 (1.00) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6170832 0.85 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6174484 0.85 CSNK1A1 (0.82) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6171119 0.84 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6172583 0.84 CSNK1A1 (0.79) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6183122 0.84 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL7561551 0.83 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL6173735 0.83 MAPK14 (0.81) MAPK13MAPK12MAPK11MAPK14MAPK9

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-0906307-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2005-04-27 EP disclosed