SCHEMBL18323618

SCHEMBL18323618

Cc1cc(C(N)=O)cc2nnc(C)n12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
BRD4 O60885 8/20 0.44
LMNA P02545 1/20 0.36
PARP1 P09874 2/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 1/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PBRM1 Q86U86 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL18323697 0.84 KDM4E (0.56) KDM4EBRD4KMT2AGLATSHR
SCHEMBL18323639 0.83 BRD4 (0.40) KDM4EBRD4LMNAPARP1KMT2A
SCHEMBL18323696 0.81 BRD4 (0.39) KDM4EBRD4LMNAPARP1KMT2A
SCHEMBL18323620 0.81 BRD4 (0.39) KDM4EBRD4LMNAPARP1KMT2A
SCHEMBL15907124 0.81 MEN1 (0.36) KDM4EBRD4LMNAPARP1KMT2A
SCHEMBL18323588 0.80 KDM4E (0.51) KDM4ELMNAKMT2AGAASMN1; SMN2
SCHEMBL18323619 0.79 BRD4 (0.37) KDM4EBRD4LMNAPARP1KMT2A
SCHEMBL18323672 0.79 BRD4 (0.40) KDM4EBRD4LMNAKMT2ATSHR
SCHEMBL18323628 0.79 BRD4 (0.37) KDM4EBRD4LMNAKMT2ATSHR
SCHEMBL18323675 0.77 BRD4 (0.39) KDM4EBRD4LMNAKMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed