SCHEMBL4070576

SCHEMBL4070576

CSc1cc(Cl)ccc1-c1ccc(NC(=O)c2c(Cl)cccc2Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
TYK2 P29597 11/20 0.45
JAK2 O60674 9/20 0.44
JAK1 P23458 6/20 0.44
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL4068967 0.90 KCNQ3 (0.43) DHODHTYK2KCNQ3KCNQ2KCNE1
SCHEMBL4068770 0.83 NPC1 (0.50) DHODHMEN1KMT2AHPGD
SCHEMBL4061473 0.80 DHODH (0.49) DHODHTYK2JAK2JAK1ABL1
SCHEMBL5934780 0.71 P4HTM (0.53) KCNQ3KCNQ2KCNE1KCNQ1MEN1
SCHEMBL4070581 0.71 POLB (0.46) TYK2JAK2JAK1ABL1SRC
SCHEMBL4059298 0.71 TYK2 (0.50) TYK2JAK2JAK1ABL1SRC
SCHEMBL4061697 0.70 GRM8 (0.55) TYK2JAK2JAK1
SCHEMBL11009109 0.70 PTPN1 (0.49) TYK2JAK2JAK1KCNQ3KCNQ2
SCHEMBL13133446 0.69 KCNQ3 (0.53) TYK2JAK2JAK1KCNQ3KCNQ2
SCHEMBL439071 0.69 IL2 (0.50) DHODHKCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed