SCHEMBL9035178

SCHEMBL9035178

COC(=O)[C@H]1CCC[C@H](n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
MAPK1 P28482 4/20 0.40
IGF1R P08069 2/20 0.40
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
AKT1 P31749 1/20 0.37
EGFR P00533 2/20 0.36
BTK Q06187 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MAPK3 P27361 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9035165 1.00 ADORA1 (0.49) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL9035159 1.00 ADORA1 (0.49) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL9034810 0.90 ADORA1 (0.52) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7666486 0.90 ADORA1 (0.52) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7666482 0.90 ADORA1 (0.52) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7670191 0.86 ADORA1 (0.47) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7670195 0.86 ADORA1 (0.47) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7657769 0.84 ADORA1 (0.52) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7660818 0.84 ADORA1 (0.49) ADORA1MAPK1IGF1RMAPK8MAPK9
SCHEMBL7660825 0.84 ADORA1 (0.49) ADORA1MAPK1IGF1RMAPK8MAPK9

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
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