SCHEMBL6951202

SCHEMBL6951202

Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)N(COC(=O)c3ccncc3)C2=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.43
CDK9 P50750 6/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CDK2 P24941 3/20 0.40
CCNA2 P20248 2/20 0.40
POLB P06746 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL27463188 0.88 CCNT1 (0.40) CCNT1CDK9MEN1MAPTKMT2A
SCHEMBL6956508 0.88 CCNT1 (0.42) CCNT1CDK9ALDH1A1CDK2CCNA2
SCHEMBL7500940 0.87 CCNT1 (0.46) CCNT1CDK9MEN1KMT2ACDK2
SCHEMBL6956384 0.86 CCNT1 (0.46) CCNT1CDK9CDK2CCNA2
SCHEMBL6953634 0.86 CCNT1 (0.38) CCNT1CDK9MEN1MAPTKMT2A
SCHEMBL6953629 0.86 CCNT1 (0.38) CCNT1CDK9MEN1MAPTKMT2A
SCHEMBL6952814 0.85 CCNT1 (0.39) CCNT1CDK9MEN1KMT2ACDK2
SCHEMBL6947835 0.84 CCNT1 (0.44) CCNT1CDK9MAPTCDK2CCNA2
SCHEMBL7508601 0.83 CCNT1 (0.47) CCNT1CDK9CDK2CCNA2
SCHEMBL6949359 0.83 GSK3B (0.40) CCNT1CDK9CDK2CCNA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224181-B1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2003-12-03 EP claimed
US-6559164-B1 These compounds and their pharmaceutically acceptable salts are suitable for administration to patients as continuous infusion solution and are useful in the treatment and/or control of cell proliferative disorders, in particular cancer. HOFFMANN-LA ROCHE INC. 2003-05-06 US claimed
EP-1224181-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP claimed
WO-2001027106-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO claimed
EP-1224181-B1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2003-12-03 EP disclosed
US-6559164-B1 These compounds and their pharmaceutically acceptable salts are suitable for administration to patients as continuous infusion solution and are useful in the treatment and/or control of cell proliferative disorders, in particular cancer. HOFFMANN-LA ROCHE INC. 2003-05-06 US disclosed
EP-1224181-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001027106-A1 SUBSTITUTED PYRROLES AS ANTIPROLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2001-04-19 WO disclosed