SCHEMBL28145458

SCHEMBL28145458

Nc1ncnc(Cl)c1NC=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL8856017 0.86 CHEK1 (0.31) CHEK1
SCHEMBL435598 0.86 LIMK1 (0.37) LIMK1LMNA
SCHEMBL28190077 0.81 MAPT (0.31) MAPTGAAHTTKDM4ELMNA
SCHEMBL8552177 0.77 LIMK1 (0.34) LIMK1
SCHEMBL27099013 0.74 PDPK1 (0.36) LIMK1MAPTHTTKMT2A
SCHEMBL14386274 0.74 CHEK1 (0.37) MAPTGAAHTTKDM4ELMNA
SCHEMBL2063119 0.74 HTT (0.34) MAPTGAAHTTKDM4ELMNA
SCHEMBL6316984 0.72 CHUK (0.32) LMNA
SCHEMBL678617 0.69 EGFR (0.36) LIMK1HTTLMNAKMT2ACHEK1
SCHEMBL11597508 0.69 CYP3A4 (0.41) MAPTHTTKDM4ELMNAKMT2A

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
CN-106661019-A Indolizine derivatives as phoshoinositide 3-kinases inhibitors 奇斯药制品公司 2017-05-10 CN disclosed