SCHEMBL4032685

SCHEMBL4032685

COc1cccc(-c2nn(C(C)C)c3c(F)cccc23)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
ABL1 P00519 3/20 0.52
HCK P08631 3/20 0.52
SRC P12931 3/20 0.52
KDR P35968 3/20 0.52
PIK3CB P42338 3/20 0.52
MTOR P42345 3/20 0.52
PIK3CG P48736 3/20 0.52
EPHB4 P54760 3/20 0.52
PRKDC P78527 3/20 0.52
PI4KB Q9UBF8 3/20 0.52
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
ESR1 P03372 2/20 0.39
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
PARP1 P09874 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL4030110 0.81 ESR1 (0.43) EGFRABL1HCKSRCKDR
SCHEMBL4029667 0.76 ESR1 (0.53) EGFRABL1HCKSRCKDR
SCHEMBL5397335 0.76 ESR1 (0.51) EGFRABL1HCKSRCKDR
SCHEMBL4026032 0.72 ESR1 (0.60) EGFRABL1HCKSRCKDR
SCHEMBL4026000 0.71 ESR1 (0.73) EGFRABL1HCKSRCKDR
SCHEMBL4030477 0.70 ESR1 (0.70) EGFRABL1HCKSRCKDR
SCHEMBL31140840 0.68 ESR1 (0.38) ESR1SMN1; SMN2MPOALDH1A1LMNA
SCHEMBL18212231 0.68 ESR1 (0.41) ESR1SMN1; SMN2MPOALDH1A1LMNA
SCHEMBL3613209 0.68 SRC (1.00) EGFRABL1HCKSRCKDR
SCHEMBL6698490 0.68 ESR1 (0.53) EGFRABL1HCKSRCKDR

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-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed