SCHEMBL7485481

SCHEMBL7485481

CCCN1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.52
MAPK1 P28482 5/20 0.42
IGF1R P08069 2/20 0.41
DRD2 P14416 4/20 0.40
SLC6A4 P31645 3/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TP53 P04637 1/20 0.38
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 1/20 0.37
MAPK3 P27361 1/20 0.36
MAPK14 Q16539 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
SCHEMBL7488103 0.94 ADORA1 (0.52) ADORA1MAPK1IGF1RTP53EGFR
SCHEMBL7490771 0.94 ADORA1 (0.52) ADORA1MAPK1IGF1REGFR
SCHEMBL7485492 0.93 ADORA1 (0.51) ADORA1MAPK1IGF1REGFR
SCHEMBL7488376 0.92 ADORA1 (0.51) ADORA1MAPK1IGF1RDRD2DRD4
SCHEMBL7487498 0.89 ADORA1 (0.53) ADORA1MAPK1IGF1REGFRAKT1
Hydrochloric Acid SCHEMBL7541956 0.88 ADORA1 (0.52) ADORA1MAPK1IGF1RDRD2DRD3
SCHEMBL7495433 0.88 ADORA1 (0.50) ADORA1MAPK1IGF1RDRD2DRD4
SCHEMBL7496245 0.85 ADORA1 (0.48) ADORA1MAPK1IGF1REGFRAKT1
SCHEMBL7668541 0.84 ADORA1 (0.53) ADORA1MAPK1IGF1REGFRAKT1
SCHEMBL7487132 0.84 ADORA1 (0.52) ADORA1MAPK1IGF1RAKT1

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-0925299-B1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-25 EP disclosed
US-6124456-A Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-26 US disclosed