SCHEMBL18323671

SCHEMBL18323671

CCCCc1cccc2nnc(C)n12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PBRM1 Q86U86 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 10/20 0.40
POLB P06746 1/20 0.39
TBXAS1 P24557 2/20 0.38
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL18323663 0.90 SMN1; SMN2 (0.42) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL18323661 0.82 POLB (0.47) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL18323664 0.82 POLB (0.57) BRD4POLBTBXAS1HSD11B1MAPT
SCHEMBL18323658 0.75 SMN1; SMN2 (0.41) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL18323578 0.70 KDM5A (0.41) BRD4KDM4E
SCHEMBL12510358 0.67 CHEK1 (0.60) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL18323659 0.65 SMN1; SMN2 (0.44) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL11377976 0.63 SMN1; SMN2 (0.47) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL11918890 0.61 SMN1; SMN2 (0.38) SMN1; SMN2PBRM1L3MBTL1BRD4POLB
SCHEMBL18323656 0.61 SMN1; SMN2 (0.38) SMN1; SMN2PBRM1L3MBTL1BRD4POLB

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