SCHEMBL27608554

SCHEMBL27608554

CC(=O)Oc1c(-c2ccc(F)cc2)c(-c2ccncc2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
HTR3A P46098 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL6220500 0.80 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL27627887 0.79 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12HTR3A
SCHEMBL27608556 0.79 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12HTR3A
SCHEMBL27627894 0.79 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12HTR3A
SCHEMBL6219664 0.77 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL6375585 0.77 HTR3A (0.55) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL25222456 0.76 IKBKB (0.49) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL27627754 0.75 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12IKBKB
SCHEMBL27627755 0.75 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12IKBKB
SCHEMBL25611852 0.75 MAPK14 (0.55) 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
CN-1701069-A 3,4-disubstituted pyrroles and their for use in treating inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2005-11-23 CN disclosed