SCHEMBL27550527

SCHEMBL27550527

Cc1cc(C)cc(-c2ccc3ncsc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.63
FFAR1 O14842 1/20 0.47
TGFBR1 P36897 10/20 0.46
BMPR1A P36894 1/20 0.46
SMAD2 Q15796 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APP P05067 1/20 0.44
RIPK1 Q13546 1/20 0.44
PFKFB3 Q16875 3/20 0.43
VRK1 Q99986 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL16573976 0.87 DYRK1A (0.60) DYRK1AFFAR1TGFBR1BMPR1ASMAD2
SCHEMBL31214345 0.87 DYRK1A (0.72) DYRK1AFFAR1TGFBR1BMPR1ASMAD2
SCHEMBL27534916 0.86 FFAR1 (0.47) DYRK1AFFAR1TGFBR1RIPK1ALDH1A1
SCHEMBL22130152 0.80 DYRK1A (0.70) DYRK1AFFAR1TGFBR1BMPR1ASMAD2
SCHEMBL21780694 0.79 DYRK1A (0.51) DYRK1ATGFBR1BMPR1ASMAD2KDM4E
SCHEMBL29870814 0.79 RAB9A (0.54) DYRK1ATGFBR1BMPR1ASMAD2KDM4E
SCHEMBL266440 0.79 RAB9A (0.54) DYRK1ATGFBR1BMPR1ASMAD2KDM4E
SCHEMBL6032917 0.78 DYRK1A (0.62) DYRK1AFFAR1TGFBR1BMPR1ASMAD2
SCHEMBL24155396 0.76 DYRK1A (0.60) DYRK1AFFAR1TGFBR1BMPR1ASMAD2
SCHEMBL6658073 0.76 DYRK1A (0.60) DYRK1AFFAR1TGFBR1BMPR1ASMAD2

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
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN claimed
CN-1290165-A Benzothiazole Protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2001-04-04 CN disclosed