SCHEMBL7013168

SCHEMBL7013168

Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
BRD2 P25440 1/20 0.57
BRD3 Q15059 1/20 0.57
BRDT Q58F21 1/20 0.57
MAPK1 P28482 4/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TSHR P16473 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
PMP22 Q01453 1/20 0.47
BRAF P15056 1/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL8648439 0.82 BRD4 (0.44) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL7011108 0.82 LMNA (0.84) MAPK1LMNAPOLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7019827 0.81 LMNA (0.82) MAPK1LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL2795748 0.81 POLB (0.75) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL18989773 0.81 SMN1; SMN2 (0.67) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL7018390 0.80 LMNA (0.69) MAPK1LMNAPOLBSMN1; SMN2GAA
SCHEMBL27794931 0.80 POLB (0.73) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL12687220 0.79 KDM4E (0.56) BRD4BRD2BRD3BRDTMAPK1
SCHEMBL7015123 0.78 LMNA (0.66) MAPK1LMNAPOLBMEN1KMT2A
SCHEMBL7015993 0.78 LMNA (0.66) BRD4BRD2BRD3BRDTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed