Sugi Predict

Sugi Predict / Compounds / SCHEMBL8999420

SCHEMBL8999420

SCHEMBL8999420

COC(=O)c1ccc(NC(=O)c2c(SSc3c(C(=O)Nc4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 1.00
▸ EGFR P00533 13/20 0.78
▸ FGFR1 P11362 1/20 0.75
▸ MAPT P10636 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL8998829 0.88 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999038 0.87 SRC (1.00) SRCEGFRFGFR1
SCHEMBL1527703 0.86 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998945 0.84 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998915 0.81 SRC (0.81) SRCEGFRFGFR1
SCHEMBL8999138 0.81 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999067 0.78 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999317 0.76 SRC (0.75) SRCEGFRFGFR1SMN1; SMN2
SCHEMBL9158175 0.74 NR4A2 (0.66) SRCSMN1; SMN2
SCHEMBL8999355 0.73 SRC (0.67) SRCEGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 — — US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 — — EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 — — WO disclosed