SCHEMBL3389769

SCHEMBL3389769

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C#N)CC3)nc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
PTK2B Q14289 1/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 3/20 0.35
CFTR P13569 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3393250 0.90 MAPK12 (0.40) PTK2BGAAKMT2AKDM4EALDH1A1
SCHEMBL3393224 0.90 GBA1 (0.38) JAK2PTK2BGAAKMT2AKDM4E
SCHEMBL3389419 0.90 ALDH1A1 (0.39) JAK2PTK2BGAAKMT2AKDM4E
SCHEMBL3391110 0.90 GBA1 (0.41)
SCHEMBL3394251 0.88 PTK2B (0.39) PTK2BKMT2AKDM4EALDH1A1HTT
SCHEMBL3422290 0.88 MAPK14 (0.37) PTK2BGAAKMT2AKDM4EALDH1A1
SCHEMBL3392100 0.87 PTK2B (0.39) PTK2BKMT2ALMNATSHRMAPK14
SCHEMBL3394262 0.86 GAA (0.38) PTK2BGAAKMT2AKDM4EALDH1A1
SCHEMBL3394297 0.86 PTK2B (0.40) PTK2BKMT2AKDM4EALDH1A1HTT
SCHEMBL3180430 0.86 CDK8 (0.35) PTK2BMAPK14MAPK13MAPK12MAPK11

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
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed