SCHEMBL4765186

SCHEMBL4765186

COc1ccccc1C(Cc1cnc(Cl)nc1Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.43
TSPO P30536 1/20 0.40
PIN1 Q13526 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
CTSA P10619 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTGFR P43088 3/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 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 0.89 PIN1 (0.38) TSPOPIN1POLBHTTNPSR1
SCHEMBL4771629 0.87 L3MBTL1 (0.40) TSPOPIN1POLBL3MBTL1CTSA
SCHEMBL4769954 0.86 TSPO (0.41) CCKARTSPOCTSAKMT2ALMNA
SCHEMBL4768165 0.85 CTSA (0.38) CTSASMN1; SMN2
SCHEMBL4775298 0.81 ACHE (0.41) POLBSMN1; SMN2KMT2ALMNA
SCHEMBL4764854 0.80 CCKAR (0.45) CCKARPOLBL3MBTL1
SCHEMBL4767426 0.78 KMT2A (0.41) NPSR1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL4773796 0.78 CTSA (0.39) L3MBTL1CTSA
SCHEMBL4769975 0.77 ATF1 (0.39) CCKARPIN1
SCHEMBL4773748 0.76 KMT2A (0.35) FABP4FABP5SMN1; SMN2KMT2A

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