SCHEMBL9022173

SCHEMBL9022173

Nc1cc(N)n(C2CC2)c(=S)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
CLK1 P49759 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 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
SCHEMBL8871376 0.69 NOS3 (0.30)
SCHEMBL9703916 0.67
SCHEMBL8871239 0.67 NOS3 (0.33) CDK9DYRK1A
SCHEMBL7112477 0.63 NOS2 (0.34) KDM4EALDH1A1PKM
SCHEMBL9021309 0.60 LMNA (0.53) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL9021891 0.59 ADORA3 (0.36) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9021522 0.58 MAPT (0.51) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL9021430 0.58 LMNA (0.36) KDM4EALDH1A1LMNA
SCHEMBL14394867 0.57 CHEK1 (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL28863515 0.57 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1KMT2APIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
EP-0397511-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY, LTD. (KR) 1990-11-14 EP disclosed