SCHEMBL8999220

SCHEMBL8999220

CC(=O)c1c(SSc2c(C(C)=O)c3ccccc3n2C)n(C)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 1.00
EGFR P00533 17/20 1.00
FGFR1 P11362 1/20 0.64
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL8999415 0.85 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998819 0.82 SRC (1.00) SRCEGFRFGFR1
SCHEMBL4106684 0.81 EGFR (0.68) SRCEGFRFGFR1ALDH1A1
SCHEMBL7278316 0.79 EGFR (0.65) SRCEGFRALDH1A1
SCHEMBL1527703 0.79 SRC (1.00) SRCEGFRFGFR1ALDH1A1
SCHEMBL8999473 0.77 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8999146 0.76 SRC (1.00) SRCEGFRFGFR1
SCHEMBL8998822 0.76 SRC (1.00) SRCEGFRFGFR1
SCHEMBL2281039 0.75 ALDH1A1 (1.00) SRCEGFRALDH1A1
SCHEMBL14288822 0.75 ALDH1A1 (0.71) SRCEGFRALDH1A1

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
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 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