SCHEMBL7765386

SCHEMBL7765386

COc1ccc(-c2cccc(C(F)(F)F)c2)n2nc(NC(=O)c3ccc(C)s3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
PDE4D Q08499 7/20 0.42
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
FYN P06241 1/20 0.40
JAK3 P52333 1/20 0.40
CTSA P10619 2/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6871450 0.89 SMN1; SMN2 (0.45) JAK2SMN1; SMN2PDE4DFYNKDM4E
SCHEMBL7766251 0.89 SMN1; SMN2 (0.47) JAK2SMN1; SMN2PDE4DHPGDMAPT
SCHEMBL7762520 0.88 JAK2 (0.48) JAK2SMN1; SMN2PDE4DFYNKDM4E
SCHEMBL7762456 0.87 SMN1; SMN2 (0.45) JAK2SMN1; SMN2PDE4DDYRK3DYRK1A
SCHEMBL7146644 0.86 SMN1; SMN2 (0.53) SMN1; SMN2PDE4DKDM4EHPGDKMT2A
SCHEMBL7762663 0.86 PDE4D (0.57) SMN1; SMN2PDE4DFYNALDH1A1MAPT
SCHEMBL7766283 0.85 FYN (0.47) SMN1; SMN2PDE4DDYRK3CCNT1CCNA2
SCHEMBL7142931 0.85 PDE4D (0.51) SMN1; SMN2PDE4DDYRK3CCNT1CCNA2
SCHEMBL7044503 0.84 HPGD (0.43) JAK2SMN1; SMN2PDE4DKDM4EHPGD
SCHEMBL7765412 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DKDM4EKMT2AALDH1A1

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