SCHEMBL7490771

SCHEMBL7490771

CCCCCN1CCC(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.52
CHRM1 P11229 1/20 0.42
MAPK1 P28482 3/20 0.40
EGFR P00533 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
IGF1R P08069 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 2/20 0.37
CHRM3 P20309 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7485492 0.99 ADORA1 (0.51) ADORA1CHRM1MAPK1EGFRCYP2D6
SCHEMBL7488103 0.97 ADORA1 (0.52) ADORA1CHRM1MAPK1EGFRCYP2D6
SCHEMBL7485481 0.94 ADORA1 (0.52) ADORA1MAPK1EGFRIGF1R
SCHEMBL7488376 0.90 ADORA1 (0.51) ADORA1MAPK1EGFRIGF1R
SCHEMBL7487498 0.87 ADORA1 (0.53) ADORA1MAPK1EGFRIGF1R
Hydrochloric Acid SCHEMBL7541956 0.86 ADORA1 (0.52) ADORA1CHRM1MAPK1EGFRIGF1R
SCHEMBL7495433 0.85 ADORA1 (0.50) ADORA1MAPK1IGF1R
SCHEMBL7496245 0.82 ADORA1 (0.48) ADORA1MAPK1EGFRIGF1R
SCHEMBL7668541 0.82 ADORA1 (0.53) ADORA1MAPK1EGFRIGF1RCNR2
SCHEMBL7487132 0.81 ADORA1 (0.52) ADORA1MAPK1IGF1RKCNH2

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