SCHEMBL5798532

SCHEMBL5798532

Cc1ccccc1-n1nc(-c2oc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.39
GPR119 Q8TDV5 3/20 0.39
CCNT1 O60563 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL5797338 0.85 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL2080030 0.68 SYK (0.46) TP53LMNAGPR119CCNT1SMN1; SMN2
SCHEMBL15565385 0.66 ALDH1A1 (0.56) TP53LMNAGPR119MAPTSMN1; SMN2
SCHEMBL20817809 0.66 ALDH1A1 (0.58) TP53LMNAGPR119MAPTSMN1; SMN2
SCHEMBL13060185 0.66 ALDH1A1 (0.55) GPR119MAPTSMN1; SMN2
SCHEMBL4240260 0.65 MAPK11 (0.53) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL2079602 0.64 CCNT1 (0.49) MAPK14TP53LMNAGPR119CCNT1
SCHEMBL2745591 0.64 MAP4K4 (0.64) MAPK13MAPK14CCNT1
SCHEMBL4244097 0.64 MAPK11 (0.64) MAPK13MAPK12MAPK11MAPK14
SCHEMBL10040508 0.64 SMN1; SMN2 (0.53) TP53LMNAGPR119MAPTSMN1; SMN2

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