SCHEMBL4771629

SCHEMBL4771629

CCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.38
HIF1A Q16665 1/20 0.37
PIN1 Q13526 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSPO P30536 1/20 0.36
CTSA P10619 1/20 0.35
HPGD P15428 1/20 0.35
NPBWR1 P48145 1/20 0.35
MEN1 O00255 1/20 0.35
PLIN1 O60240 1/20 0.35

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
SCHEMBL4764829 0.91 PIN1 (0.38) L3MBTL1ALDH1A1LMNAPOLBPIN1
SCHEMBL4765186 0.87 CCKAR (0.43) L3MBTL1LMNAPOLBPIN1TSPO
SCHEMBL4764817 0.87 TSPO (0.38) L3MBTL1KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL4769985 0.83 CA12 (0.41) L3MBTL1ALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL4773796 0.82 CTSA (0.39) L3MBTL1MAPTCTSA
SCHEMBL4771490 0.78 CYP2C9 (0.40) L3MBTL1KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL4771777 0.78 MME (0.42) L3MBTL1KDM4EALDH1A1CYP2C9CYP1A2
SCHEMBL4767426 0.75 KMT2A (0.41) L3MBTL1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4768165 0.75 CTSA (0.38) CTSA
SCHEMBL4767481 0.75 PTK2 (0.49) MAPT

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-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed