SCHEMBL8044476

SCHEMBL8044476

O=C(O)Cc1nnc(Sc2ncc(Cl)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 1/20 0.33
USP7 Q93009 1/20 0.33
GSK3B P49841 1/20 0.33
APEX1 P27695 1/20 0.32
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8034054 0.87 F2 (0.44) MAPK8MAPK9MAPK10USP7RAB9A
SCHEMBL8044126 0.86 HDAC6 (0.36) MAPK8MAPK9MAPK10USP7APEX1
SCHEMBL8042939 0.83 RXRA (0.41) MAPK8MAPK9MAPK10USP7GSK3B
SCHEMBL8042807 0.82 MEN1 (0.44) MAPTRAB9A
SCHEMBL8043915 0.79 MAPK8 (0.37) MAPK8MAPK9MAPK10USP7MAPT
SCHEMBL8043583 0.79 AKT1 (0.33) MAPK8MAPK9MAPK10GSK3B
SCHEMBL8050472 0.79 MAPK8 (0.60) MAPK8MAPK9MAPK10GSK3BMAPT
SCHEMBL8043004 0.77 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPTRAB9A
SCHEMBL8034366 0.76 ALDH1A1 (0.45) MAPTRAB9A
SCHEMBL8051741 0.75 GSK3B (0.39) GSK3BAPEX1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed