SCHEMBL7767039

SCHEMBL7767039

COc1ccc(-c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
PDE4D Q08499 10/20 0.43
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
NAMPT P43490 1/20 0.37
MAPT P10636 2/20 0.37
IMPDH2 P12268 1/20 0.37
PARP15 Q460N3 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
RECQL P46063 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL7765412 0.92 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DKMT2AJAK1KDM4E
SCHEMBL7146644 0.90 SMN1; SMN2 (0.53) SMN1; SMN2PDE4DKMT2AKDM4EALDH1A1
SCHEMBL7762456 0.89 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DKMT2AJAK2JAK1
SCHEMBL7767933 0.89 SMN1; SMN2 (0.44) SMN1; SMN2PDE4DKMT2AJAK1ALDH1A1
SCHEMBL7151689 0.88 SMN1; SMN2 (0.43) SMN1; SMN2PDE4DKMT2AJAK1KDM4E
SCHEMBL7044324 0.86 KMT2A (0.46) SMN1; SMN2KMT2AKDM4EALDH1A1HPGD
SCHEMBL7762515 0.86 SMN1; SMN2 (0.45) SMN1; SMN2PDE4DKMT2AKDM4EALDH1A1
SCHEMBL7766248 0.85 SMN1; SMN2 (0.49) SMN1; SMN2PDE4DKMT2AJAK1KDM4E
SCHEMBL7766251 0.85 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DJAK2HPGDLMNA
SCHEMBL7762520 0.84 JAK2 (0.48) SMN1; SMN2PDE4DKMT2AJAK2KDM4E

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
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed