SCHEMBL7433335

SCHEMBL7433335

CCCc1ccnc(C(=O)OCC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NUDT1 P36639 1/20 0.39

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
SCHEMBL14895438 0.89 BRD4 (0.48) BRD4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7443835 0.84 BRD4 (0.46) BRD4HSP90AA1ALDH1A1KDM4EHSD17B10
SCHEMBL7436030 0.81 KDM4E (0.40) ALDH1A1KDM4ECYP1A2LMNACYP3A4
SCHEMBL7439674 0.81 IKBKB (0.39) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL28634780 0.81 BRD4 (0.49) BRD4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL25347956 0.80 BRD4 (0.48) BRD4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL15758316 0.80 NUDT1 (0.51) BRD4HSP90AA1ALDH1A1KDM4EHSD17B10
SCHEMBL28550577 0.79 BRD4 (0.47) BRD4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27510506 0.78 DPP4 (0.47) BRD4ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7441626 0.75 KDM4E (0.49) BRD4ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0656898-B1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1997-01-22 EP disclosed
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 US disclosed
EP-0656898-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS. PFIZER RES & DEV (IE) 1995-06-14 EP disclosed
WO-1994005661-A1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1994-03-17 WO disclosed