SCHEMBL7861913

SCHEMBL7861913

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 16/20 0.65
PRKCA P17252 3/20 0.42
DYRK1A Q13627 1/20 0.42
PAX8 Q06710 1/20 0.42
EGFR P00533 1/20 0.40

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
SCHEMBL5870061 0.93 TOP1 (0.58) TOP1DYRK1APAX8
SCHEMBL5870062 0.89 TOP1 (0.54) TOP1
SCHEMBL6724824 0.88 TOP1 (0.61) TOP1PRKCADYRK1APAX8EGFR
SCHEMBL5870514 0.88 TOP1 (0.61) TOP1PRKCADYRK1APAX8EGFR
SCHEMBL7860461 0.88 TOP1 (0.54) TOP1
SCHEMBL5869927 0.87 TOP1 (0.55) TOP1PRKCA
SCHEMBL6736290 0.87 TOP1 (0.57) TOP1PRKCA
SCHEMBL8192076 0.87 TOP1 (0.52) TOP1
SCHEMBL6731712 0.85 TOP1 (0.47) TOP1PRKCA
SCHEMBL7031130 0.85 TOP1 (0.54) TOP1PRKCADYRK1APAX8

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