SCHEMBL4070581

SCHEMBL4070581

Cc1scc(Cl)c1-c1ccc(NC(=O)c2c(Cl)cccc2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LCK P06239 1/20 0.46
MAPK14 Q16539 1/20 0.46
TYK2 P29597 9/20 0.46
JAK2 O60674 6/20 0.46
JAK1 P23458 5/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ABL1 P00519 2/20 0.43
SRC P12931 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL4068973 0.92 TYK2 (0.46) POLBLCKMAPK14TYK2JAK2
SCHEMBL4068779 0.84 NPC1 (0.51) TYK2CYP3A4HPGDRAB9A
SCHEMBL4061473 0.75 DHODH (0.49) POLBLCKMAPK14TYK2JAK2
SCHEMBL4070576 0.71 DHODH (0.45) LCKMAPK14TYK2JAK2JAK1
SCHEMBL11172310 0.71 NPSR1 (0.48) LCKMAPK14JAK2KMT2ANPSR1
SCHEMBL7384072 0.70 TYK2 (0.65) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL4063185 0.70 POLB (0.54) POLBTYK2JAK2JAK1CYP3A4
SCHEMBL4058533 0.69 TYK2 (0.50) POLBLCKMAPK14TYK2JAK2
SCHEMBL4061467 0.69 POLB (0.53) POLBTYK2JAK2JAK1CYP3A4
SCHEMBL11184085 0.68 PTPN1 (0.53) NPSR1

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