SCHEMBL18323657

SCHEMBL18323657

CCc1cc(C)cc2nnc(C)n12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
DNMT1 P26358 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PBRM1 Q86U86 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 10/20 0.32
KMT2A Q03164 1/20 0.30

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
SCHEMBL18323646 0.75 KDM4E (1.00) KDM4EDNMT1SMN1; SMN2PBRM1L3MBTL1
SCHEMBL18323661 0.73 POLB (0.47) KDM4ESMN1; SMN2PBRM1L3MBTL1BRD4
SCHEMBL18323644 0.73 KDM4E (0.55) KDM4EDNMT1SMN1; SMN2PBRM1L3MBTL1
SCHEMBL18323651 0.72 KDM4E (0.64) KDM4EDNMT1SMN1; SMN2PBRM1L3MBTL1
SCHEMBL18323636 0.72 KDM4E (0.41) KDM4ENOS3NOS2DNMT1
SCHEMBL18323647 0.69 KDM4E (0.60) KDM4EDNMT1SMN1; SMN2PBRM1L3MBTL1
SCHEMBL18323643 0.67 KDM4E (0.56) KDM4ESMN1; SMN2PBRM1L3MBTL1BRD4
SCHEMBL18323638 0.66 KDM4E (0.50) KDM4EBRD4KMT2A
SCHEMBL18323627 0.65 KDM4E (0.41) KDM4EDNMT1
SCHEMBL15907082 0.64 KDM4E (0.37) KDM4ENOS2DNMT1KMT2A

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