SCHEMBL8784252

SCHEMBL8784252

Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)[C@H](Nc1cccc(C(=O)O)c1F)CC3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 3/20 0.34
CD38 P28907 2/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GUCY1A1 Q02108 4/20 0.34
GUCY1B1 Q02153 4/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PDE10A Q9Y233 3/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL9207419 0.93 CD38 (0.34) EIF4EBP1CD38KMT2AKDM4EALDH1A1
SCHEMBL6950342 0.92 KMT2A (0.37) EIF4EBP1CD38KMT2AKDM4EALDH1A1
SCHEMBL9206247 0.92 KMT2A (0.34) EIF4EBP1CD38KMT2AKDM4EALDH1A1
SCHEMBL9201272 0.91 CYP3A4 (0.33) CD38KMT2AKDM4EALDH1A1MEN1
SCHEMBL9200498 0.90 EIF4EBP1 (0.33) EIF4EBP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL9207426 0.89 EIF4EBP1 (0.34) EIF4EBP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL9206253 0.88 EIF4EBP1 (0.34) EIF4EBP1KMT2AKDM4EALDH1A1MEN1
SCHEMBL8783227 0.87 CD38 (0.40) CD38KMT2AKDM4EALDH1A1MEN1
SCHEMBL9200500 0.85 EIF4EBP1 (0.34) EIF4EBP1KMT2APDE10A
SCHEMBL6949348 0.83 KMT2A (0.36) KMT2AKDM4EALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed