SCHEMBL2296432

SCHEMBL2296432

COc1cc(-c2c(-c3ccc(F)cc3)ncn2[C@H]2CC[C@H](O)CC2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.67
MAPK11 Q15759 5/20 0.67
MAPK13 O15264 4/20 0.67
MAPK12 P53778 4/20 0.67
CSNK1D P48730 3/20 0.67
PRKD3 O94806 2/20 0.67
MAP4K4 O95819 2/20 0.67
PRKCA P17252 2/20 0.67
CSNK1A1 P48729 2/20 0.67
MINK1 Q8N4C8 2/20 0.67
MAP4K5 Q9Y4K4 2/20 0.67
EGFR P00533 2/20 0.67
KDM4E B2RXH2 1/20 0.67
RAF1 P04049 1/20 0.67
CYP1A2 P05177 1/20 0.67
LCK P06239 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
FRK P42685 1/20 0.67

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
SCHEMBL2296427 1.00 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4915442 0.88 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL8222701 0.88 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL6576462 0.84 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL7890787 0.82 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL13819570 0.81 MAPK14 (0.78) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL30290594 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL173596 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL4918359 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL173595 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12CSNK1D

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-20110195962-A1 USE OF MULTI-PHARMACOPHORE COMPOUNDS TO TREAT NASAL DISORDERS ALCON RESEARCH, LTD. (US) 2011-08-11 US disclosed