SCHEMBL7440301

SCHEMBL7440301

COC(=O)c1cccc(Nc2ncccc2C(=O)OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPK1 P28482 3/20 0.60
PKM P14618 2/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 5/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
SRC P12931 1/20 0.56
ROCK1 Q13464 1/20 0.55
MAPT P10636 7/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE5A O76074 1/20 0.52
PPIA P62937 1/20 0.52
DHODH Q02127 2/20 0.51

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
SCHEMBL5252367 0.92 MEN1 (0.71) MEN1KMT2AMAPK1PKMHTT
SCHEMBL5250412 0.91 LMNA (0.65) MEN1KMT2AMAPK1PKMHTT
SCHEMBL22453121 0.90 ABCG2 (0.53) MEN1KMT2AMAPK1PKMHTT
SCHEMBL6332639 0.86 MEN1 (0.60) MEN1KMT2AMAPK1PKMHTT
SCHEMBL7272758 0.86 KMT2A (0.60) MEN1KMT2AMAPK1PKMHTT
SCHEMBL6797385 0.85 ROCK1 (0.60) MEN1KMT2AMAPK1PKMHTT
SCHEMBL22452840 0.85 MEN1 (0.58) MEN1KMT2AMAPK1PKMHTT
SCHEMBL2686638 0.85 MAPK1 (0.55) MEN1KMT2AMAPK1PKMHTT
SCHEMBL7271426 0.85 MEN1 (0.58) MEN1KMT2AMAPK1PKMHTT
SCHEMBL7281318 0.85 MEN1 (0.81) MEN1KMT2AMAPK1PKMHTT

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
US-6037345-A Method for inhibiting neoplastic cells and related conditions by exposure to quinazolinedione and pyridopyrimidinedione derivatives CELL PATHWAYS, INC. (US) 2000-03-14 US disclosed
CN-1014992-B QUINAZOLIDIONE AND PYRIDOPYRIMIDINE DIONE AND PREPARING METHOD PFIZER (US) 1991-12-04 CN disclosed
EP-0260817-B1 QUINAZOLINEDIONES AND PYRIDOPYRIMIDINEDIONES PFIZER INC. (US) 1991-05-15 EP disclosed
US-4880810-A Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1989-11-14 US disclosed
US-4797403-A Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1989-01-10 US disclosed
EP-0260817-A1 Quinazolinediones and pyridopyrimidinediones PFIZER INC. (US) 1988-03-23 EP disclosed
CN-87105791-A Quinazoline diones and Pyridopyrimidine diketone and preparation method thereof 1988-03-09 CN disclosed
WO-1988001270-A1 PYRIDOPYRIMIDINEDIONES PFIZER INC. (US) 1988-02-25 WO disclosed