SCHEMBL7766283

SCHEMBL7766283

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.47
PDE4D Q08499 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL7762663 0.90 PDE4D (0.57) FYNPDE4DSMN1; SMN2POLB
SCHEMBL7766251 0.89 SMN1; SMN2 (0.47) PDE4DSMN1; SMN2POLBRXFP1
SCHEMBL7762520 0.89 JAK2 (0.48) FYNPDE4DSMN1; SMN2KDM4E
SCHEMBL7762456 0.88 SMN1; SMN2 (0.45) PDE4DSMN1; SMN2DYRK3DYRK1ADYRK2
SCHEMBL6871450 0.88 SMN1; SMN2 (0.45) FYNPDE4DSMN1; SMN2KDM4EPOLB
SCHEMBL7146644 0.87 SMN1; SMN2 (0.53) PDE4DSMN1; SMN2KDM4EPOLBRXFP1
SCHEMBL7765386 0.85 JAK2 (0.45) FYNPDE4DSMN1; SMN2KDM4EDYRK3
SCHEMBL7044503 0.85 HPGD (0.43) PDE4DSMN1; SMN2KDM4ENPSR1
SCHEMBL7142931 0.84 PDE4D (0.51) PDE4DSMN1; SMN2KDM4EPOLBRXFP1
SCHEMBL7765412 0.84 SMN1; SMN2 (0.47) PDE4DSMN1; SMN2KDM4EPOLBNPSR1

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