Sugi Predict

Sugi Predict / Compounds / SCHEMBL1852276

SCHEMBL1852276

SCHEMBL1852276

CCn1cc(-c2ccncc2)c(-c2c(F)ccc(N)c2F)n1.CCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 0.41
▸ PIK3CA P42336 8/20 0.39
▸ BRAF P15056 4/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ MTOR P42345 7/20 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
SCHEMBL1846102 0.95 ERN1 (0.40) ERN1PIK3CABRAFNR1I2MTOR
SCHEMBL1847704 0.88 SCN9A (0.42) ERN1PIK3CABRAFNR1I2MTOR
SCHEMBL1847135 0.86 ERN1 (0.39) ERN1PIK3CABRAFNR1I2MTOR
SCHEMBL1849642 0.85 PIK3CA (0.40) ERN1PIK3CABRAFMTOR
SCHEMBL574872 0.85 BRAF (0.47) ERN1PIK3CABRAFNR1I2MTOR
SCHEMBL1851673 0.84 PIK3CA (0.40) ERN1PIK3CABRAFMTOR
SCHEMBL1845246 0.83 MAPK13 (0.48) ERN1PIK3CABRAFNR1I2MTOR
SCHEMBL1847457 0.83 BRD4 (0.42) PIK3CABRAFMTOR
SCHEMBL1851772 0.82 PIK3CA (0.42) ERN1PIK3CAMTOR
SCHEMBL1847759 0.82 BRAF (0.40) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324008-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-25 — — EP disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 — — WO disclosed