SCHEMBL8600718

SCHEMBL8600718

O=C(O)Cn1c(C(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.42
▸ PIK3R1 P27986 4/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ PIK3CB P42338 4/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC16A3 O15427 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CCKAR P32238 1/20 0.37

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
SCHEMBL8599169 0.85 PIK3CD (0.39) PIK3CDPIK3R1PIK3CAPIK3CBMEN1
SCHEMBL8597312 0.84 TP53 (0.43) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8597130 0.82 MEN1 (0.38) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8571701 0.82 TAS1R3 (0.42) MEN1KMT2ACRHBPHTTCRHR2
Trifluoroacetic Acid SCHEMBL8598750 0.81 CDK4 (0.42) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8569083 0.76 MMP2 (0.43) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8601626 0.75 MAPT (0.47) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8598838 0.75 TP53 (0.43) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8601890 0.75 TNF (0.46) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8597093 0.75 MMP2 (0.42) MEN1KMT2ACRHBPHTTCRHR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944592-A1 VITAMIN D3 DERIVATIVES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-09-29 — — EP disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 — — EP disclosed
WO-1998024762-A1 VITAMIN D3 DERIVATIVES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-06-11 — — WO disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 — — WO disclosed
Send feedback