SCHEMBL7913437

SCHEMBL7913437

COc1ccc2nc(N)c(C#N)c(-c3ccccc3)c2c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ADORA2A P29274 5/20 0.50
HSD17B10 Q99714 5/20 0.50
ADORA1 P30542 3/20 0.50
HTT P42858 2/20 0.50
ADRA2A P08913 1/20 0.50
CDK5 Q00535 2/20 0.48
DYRK1A Q13627 2/20 0.48
CDK5R1 Q15078 1/20 0.48
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
USP2 O75604 1/20 0.43
S1PR4 O95977 1/20 0.43

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
SCHEMBL27470171 0.78 ADORA2A (0.58) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL6072033 0.74 CDK5 (0.49) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL6072337 0.74 CDK5 (0.54) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL28383673 0.73 KDM4E (0.66) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL6767155 0.73 ADORA2A (0.58) ADORA2AHSD17B10ADORA1HTTADRA2A
SCHEMBL6072771 0.73 ADORA2A (0.56) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL7011406 0.72 ADORA2A (0.70) LMNAADORA2AHSD17B10ADORA1HTT
SCHEMBL31636814 0.72 POLB (0.56) ADORA2AHSD17B10ADORA1HTTADRA2A
SCHEMBL16618011 0.72 LMNA (0.45) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL4436700 0.71 ADORA2A (0.60) LMNAADORA2AHSD17B10ADORA1HTT

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-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US disclosed