SCHEMBL7670191

SCHEMBL7670191

COC(=O)C1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C(O)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.47
IGF1R P08069 2/20 0.39
MAPK1 P28482 4/20 0.38
XDH P47989 1/20 0.36
EGFR P00533 1/20 0.35
AKT1 P31749 1/20 0.34
MAPK8 P45983 5/20 0.34
MAPK9 P45984 5/20 0.34
MAPK3 P27361 1/20 0.33
MAPK14 Q16539 1/20 0.33
PIKFYVE Q9Y2I7 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7670195 1.00 ADORA1 (0.47) ADORA1IGF1RMAPK1XDHEGFR
SCHEMBL9035165 0.86 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL9035159 0.86 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL9035178 0.86 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7660818 0.84 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7660825 0.84 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7660830 0.84 ADORA1 (0.49) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7670232 0.83 ADORA1 (0.53) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7665031 0.83 ADORA1 (0.53) ADORA1IGF1RMAPK1EGFRAKT1
SCHEMBL7665028 0.83 ADORA1 (0.53) ADORA1IGF1RMAPK1EGFRAKT1

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-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed