SCHEMBL28296832

SCHEMBL28296832

Clc1ccccc1-c1ncccc1-c1ccc2ncncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
TDO2 P48775 2/20 0.49
FGFR4 P22455 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
BACE1 P56817 1/20 0.43
ABL1 P00519 2/20 0.43
DPP4 P27487 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28138776 0.90 FGFR4 (0.45) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL28138785 0.89 PIK3CD (0.44) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL28139444 0.88 FGFR4 (0.44) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL28018837 0.85 LCK (0.50) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL28138760 0.85 PIK3CA (0.50) PIK3CDPIK3CATDO2FGFR4BACE1
SCHEMBL28138766 0.84 TGFBR1 (0.40) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL18712121 0.84 EGFR (0.54) PIK3CDPIK3CATDO2FGFR4ALDH1A1
SCHEMBL15637895 0.83 TGFBR1 (0.43) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL28873343 0.82 TGFBR1 (0.48) PIK3CDPIK3CATDO2FGFR4USP2
SCHEMBL18069431 0.82 PIK3CA (0.52) PIK3CDPIK3CATDO2FGFR4EGFR

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-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed