SCHEMBL9536367

SCHEMBL9536367

COc1ccc(Nc2nc(Nc3ccccc3C)c3sccc3n2)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
PTK2 Q05397 2/20 0.44
ALK Q9UM73 1/20 0.43
SLC2A1 P11166 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE7A Q13946 1/20 0.42
CSNK2A1 P68400 2/20 0.41
PRKDC P78527 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40

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
Hydrochloric Acid SCHEMBL9432208 0.99 GAA (0.44) GAAPTK2ALKSLC2A1PDE4B
SCHEMBL9431368 0.87 SLC2A1 (0.52) PTK2SLC2A1PDE4BPDE7ACSNK2A1
SCHEMBL9536391 0.84 SLC2A1 (0.46) SLC2A1PDE4BPDE7ACSNK2A1CSNK2A2
Hydrochloric Acid SCHEMBL9431893 0.83 SLC2A1 (0.48) SLC2A1PDE4BPDE7ACSNK2A1CSNK2A2
Hydrochloric Acid SCHEMBL10441160 0.83 SLC2A1 (0.48) SLC2A1PDE4BPDE7ACSNK2A1CSNK2A2
SCHEMBL9431929 0.83 GAA (0.46) GAAPRKDC
SCHEMBL9432574 0.82 GAA (0.43) GAACSNK2A1PRKDC
Hydrochloric Acid SCHEMBL9776765 0.81 SLC2A1 (0.66) SLC2A1
SCHEMBL9536374 0.79 TUBB4A (0.52)
Hydrochloric Acid SCHEMBL9432210 0.79 TUBB4A (0.51)

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-0404356-B1 SUBSTITUTED THIENOPYRIMIDINE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USE SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-22 EP claimed