SCHEMBL7253369

SCHEMBL7253369

O=C(CF)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.64
WNT3A P56704 8/20 0.64
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAOB P27338 3/20 0.59
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK9 P45984 1/20 0.56
SRD5A2 P31213 1/20 0.56
ATM Q13315 1/20 0.56

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
SCHEMBL13715357 0.89 ATM (0.70) CTNNB1WNT3AALDH1A1HPGDKDM4E
SCHEMBL29458253 0.85 MEN1 (0.76) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL2237626 0.85 MEN1 (0.76) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL6486626 0.84 CTNNB1 (0.66) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL4865452 0.84 CTNNB1 (0.66) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL22651304 0.83 CTNNB1 (0.69) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL1092123 0.82 ATM (0.81) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL4258312 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL2843731 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1
SCHEMBL13785040 0.82 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1MAPK1MEN1

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-2003030909-A1 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-17 WO disclosed