SCHEMBL5746232

SCHEMBL5746232

NC(=O)c1ccc2c[c]cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
HPGDS O60760 1/20 0.40
KMT2A Q03164 1/20 0.39
FGFR1 P11362 1/20 0.39
CHEK2 O96017 3/20 0.38
NNMT P40261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
PLAU P00749 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
DYRK1A Q13627 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL5553513 0.87 LCK (0.43) LCKHPGDSKMT2AFGFR1CHEK2
SCHEMBL28140566 0.85 TDP1 (0.46) KMT2AFGFR1SMN1; SMN2PLAUKDM4E
SCHEMBL16289641 0.80 HTT (0.49) LCKFGFR1KDM4EGLA
SCHEMBL3389355 0.73 ALDH1A1 (0.50) KMT2AFGFR1KDM4E
SCHEMBL2232014 0.72 ALDH1A1 (0.55) LCKKMT2AJAK2JAK1TYK2
SCHEMBL31068033 0.72 ALDH1A1 (0.55) LCKKMT2AJAK2JAK1TYK2
SCHEMBL6379955 0.71 TDP1 (0.46) KMT2AFGFR1SMN1; SMN2KDM4E
SCHEMBL2051696 0.71 EGFR (0.56) LCKHPGDSKMT2AFGFR1NNMT
SCHEMBL5775183 0.71 FGFR1 (0.40) LCKKMT2AFGFR1CHEK2NNMT
Hydrochloric Acid SCHEMBL28060868 0.71 MEN1 (0.53) LCKKMT2AJAK2JAK1TYK2

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed