SCHEMBL22201493

SCHEMBL22201493

CS(=O)(=O)c1cc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.34
SYK P43405 8/20 0.34
PRKD1 Q15139 1/20 0.34
MET P08581 1/20 0.34
TGFBR1 P36897 1/20 0.34
P2RX3 P56373 4/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL22201607 0.87 RIPK2 (0.39) SYKPRKD1TGFBR1
SCHEMBL22201534 0.85 PIK3CD (0.40) SYKTGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL22201586 0.85 PRKCH (0.47) ROCK2SYKTGFBR1PRKCHPRKCE
SCHEMBL22201425 0.85 P2RX3 (0.36) PRKD1METTGFBR1P2RX3PIK3CD
SCHEMBL22201262 0.84 RIPK2 (0.36) TGFBR1P2RX3
SCHEMBL22201366 0.84 MAPT (0.39) SYK
SCHEMBL22201322 0.82 PIP4K2C (0.34) TGFBR1P2RX3PIK3CDPIK3CAPIK3CB
SCHEMBL22201226 0.82 PRKCH (0.37) SYKPRKD1TGFBR1P2RX3PRKCH
SCHEMBL22201368 0.81 SYK (0.45) SYKPRKD1TGFBR1P2RX3
SCHEMBL22201286 0.81 P2RX3 (0.40) SYKPRKD1TGFBR1P2RX3AURKB

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed