SCHEMBL7655503

SCHEMBL7655503

CC(C)(C)OC(=O)N1CCC(=O)C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
SPR P35270 8/20 0.39
MAPK1 P28482 1/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
USP30 Q70CQ3 2/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL7664140 0.88 ADORA1 (0.46) ADORA1SPRMAPK1CKS1BSKP1
SCHEMBL7490072 0.87 ADORA1 (0.47) ADORA1SPRUSP30
SCHEMBL8309509 0.87 ADORA1 (0.47) ADORA1SPRUSP30
SCHEMBL7490416 0.85 ADORA1 (0.48) ADORA1SPRMAPK1CKS1BSKP1
SCHEMBL9035991 0.85 ADORA1 (0.45) ADORA1SPRUSP30
SCHEMBL7661798 0.85 ADORA1 (0.45) ADORA1SPRUSP30
SCHEMBL7662071 0.80 ADORA1 (0.52) ADORA1MAPK1IGF1R
SCHEMBL7654955 0.79 ADORA1 (0.51) ADORA1MAPK1IGF1R
SCHEMBL7659038 0.78 ADORA1 (0.45) ADORA1MAPK1IGF1R
SCHEMBL7659044 0.78 ADORA1 (0.45) ADORA1MAPK1IGF1R

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 3 patents. 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
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed