SCHEMBL5798480

SCHEMBL5798480

Cc1cccc(-n2nc(-c3sc(N4CCC(N(C)C)C4)nc3-c3ccc(F)cc3)ccc2=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.40
MAPK11 Q15759 4/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK12 P53778 3/20 0.33
MAPK14 Q16539 3/20 0.33
MCHR1 Q99705 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
BTK Q06187 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
MAPT P10636 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL5795738 0.94 MAPK13 (0.46) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5796380 0.88 MAPK11 (0.39) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5795724 0.88 MAPK13 (0.37) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5799224 0.88 MAPK13 (0.37) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5813023 0.88 CYP2C9 (0.37) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5817772 0.86 MAPK13 (0.40) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5795722 0.85 MCHR1 (0.36) MAPK13MAPK11CYP2C9ALDH1A1CYP3A4
SCHEMBL5797429 0.83 MAPK8 (0.38) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5796356 0.83 MAPK13 (0.40) MAPK13MAPK11CYP2C9MAPK12MAPK14
SCHEMBL5796363 0.82 SLC5A1 (0.37) MAPK13MAPK11CYP2C9MAPK12MAPK14

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed