SCHEMBL8998836

SCHEMBL8998836

Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc([N+](=O)[O-])ccc3n2C)c(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 1.00
EGFR P00533 14/20 1.00
FGFR1 P11362 1/20 0.67

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
SCHEMBL8998845 0.81 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998858 0.81 SRC (1.00) SRCEGFRFGFR1
SCHEMBL1527703 0.81 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998939 0.79 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998882 0.79 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998990 0.78 SRC (1.00) SRCEGFRFGFR1
SCHEMBL9158566 0.76 EGFR (0.61) SRCEGFR
SCHEMBL8998829 0.73 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999067 0.73 SRC (1.00) SRCEGFRFGFR1
SCHEMBL9952778 0.72 EGFR (0.56) SRCEGFR

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