SCHEMBL7664749

SCHEMBL7664749

O=C(O)C[C@@H]1CCCC[C@H]1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.57
MAPK1 P28482 5/20 0.47
IGF1R P08069 2/20 0.43
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
AKT1 P31749 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK14 Q16539 1/20 0.39
EGFR P00533 1/20 0.36
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35

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
SCHEMBL7661662 1.00 ADORA1 (0.57) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7661659 1.00 ADORA1 (0.57) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7664014 0.89 ADORA1 (0.49) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7661717 0.89 ADORA1 (0.49) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7661713 0.89 ADORA1 (0.49) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7660885 0.86 ADORA1 (0.54) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7670232 0.86 ADORA1 (0.53) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7665028 0.86 ADORA1 (0.53) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7665031 0.86 ADORA1 (0.53) ADORA1MAPK1IGF1RADORA2AADORA2B
SCHEMBL7664511 0.85 ADORA1 (0.52) ADORA1MAPK1IGF1RADORA2AADORA2B

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