SCHEMBL6948115

SCHEMBL6948115

C=CCOC(=O)OCN1C(=O)C(c2cn(C)c3ccccc23)=C(c2cn(C)c3cc([N+](=O)[O-])ccc23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.41
CDK9 P50750 4/20 0.41
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL7500940 0.87 CCNT1 (0.46) CCNT1CDK9CDK2CCNA2MEN1
SCHEMBL6956384 0.86 CCNT1 (0.46) CCNT1CDK9CDK2CCNA2
SCHEMBL6947835 0.84 CCNT1 (0.44) CCNT1CDK9CDK2CCNA2MAPT
SCHEMBL6950505 0.84 CCNT1 (0.42) CCNT1CDK9CDK2CCNA2MAPT
SCHEMBL7508601 0.83 CCNT1 (0.47) CCNT1CDK9CDK2CCNA2
SCHEMBL7164524 0.83 CCNT1 (0.47) CCNT1CDK9CDK2CCNA2
SCHEMBL6954175 0.83 CCNT1 (0.43) CCNT1CDK9CDK2CCNA2
Hydrochloric Acid SCHEMBL6954170 0.82 CCNT1 (0.42) CCNT1CDK9CDK2CCNA2
SCHEMBL6951202 0.81 CCNT1 (0.43) CCNT1CDK9CDK2CCNA2MAPT
SCHEMBL7134999 0.81 CDK2 (0.42) CCNT1CDK9CDK2CCNA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155595-C Substituted pyrroles as antiproliferative agents for the treatment of cancer - 2004-06-30 CN claimed
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
CN-1378545-A Substituted pyrroles as antiproliferative agents for treatment of cancer HOFFMANN LA ROCHE (CH) 2002-11-06 CN claimed
CN-1155595-C Substituted pyrroles as antiproliferative agents for the treatment of cancer - 2004-06-30 CN disclosed
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
CN-1378545-A Substituted pyrroles as antiproliferative agents for treatment of cancer HOFFMANN LA ROCHE (CH) 2002-11-06 CN 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