SCHEMBL8998945

SCHEMBL8998945

COC(=O)c1ccc(CNC(=O)c2c(SSc3c(C(=O)NCc4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
EGFR P00533 14/20 1.00
FGFR1 P11362 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL8998804 0.88 SRC (1.00) SRCEGFRFGFR1MEN1KMT2A
SCHEMBL8999184 0.87 SRC (0.78) SRCEGFRMEN1KMT2ANPC1
SCHEMBL8999420 0.84 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999146 0.77 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999038 0.76 SRC (1.00) SRCEGFRFGFR1RAB9A
SCHEMBL9158553 0.75 NR4A2 (0.63) SRCEGFRMEN1KMT2A
SCHEMBL8998996 0.75 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999138 0.74 SRC (1.00) SRCEGFRFGFR1MEN1KMT2A
SCHEMBL8998933 0.74 SRC (1.00) SRCEGFRFGFR1
SCHEMBL21454776 0.73 MEN1 (0.77) MEN1KMT2ANPC1RAB9A

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