SCHEMBL7855006

SCHEMBL7855006

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 20/20 1.00
PRKCA P17252 3/20 0.48
EGFR P00533 1/20 0.48
PRKD3 O94806 2/20 0.46
PRKCG P05129 2/20 0.46
PRKCB P05771 2/20 0.46
PRKCH P24723 2/20 0.46
PRKCI P41743 2/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCZ Q05513 2/20 0.46
PRKCD Q05655 2/20 0.46
PRKD1 Q15139 2/20 0.46

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
SCHEMBL7023883 0.93 TOP1 (0.87) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL7855047 0.93 TOP1 (0.87) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL5664034 0.88 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL5664777 0.87 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL7030485 0.85 TOP1 (0.74) TOP1PRKCQ
SCHEMBL5664818 0.84 TOP1 (0.73) TOP1PRKCQ
SCHEMBL6734152 0.82 TOP1 (0.86) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL7862848 0.82 TOP1 (0.72) TOP1PRKCAEGFR
SCHEMBL6734365 0.80 TOP1 (0.67) TOP1PRKCQ
SCHEMBL6727359 0.80 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG

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
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 WO disclosed