SCHEMBL7862848

SCHEMBL7862848

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 17/20 0.72
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
CCNE2 O96020 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
PRKCA P17252 2/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL7030485 0.93 TOP1 (0.74) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5666580 0.90 TOP1 (0.67) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5668290 0.90 TOP1 (0.67) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5666540 0.87 TOP1 (0.75) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL7025632 0.87 TOP1 (0.75) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5664818 0.86 TOP1 (0.73) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL7855047 0.85 TOP1 (0.87) TOP1PRKCAEGFR
SCHEMBL5668292 0.85 TOP1 (0.65) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL5666583 0.85 TOP1 (0.65) TOP1CDK4CCND1CCNE2PRKACA
SCHEMBL6736290 0.85 TOP1 (0.57) TOP1CDK4CCND1CCNE2PRKACA

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