SCHEMBL9215792

SCHEMBL9215792

Cc1n[nH]c2c1CCc1[nH]ncc1-2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 16/20 0.43
CDK2 P24941 16/20 0.43
CCNA1 P78396 16/20 0.43
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GRM4 Q14833 2/20 0.33
MAPK10 P53779 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL5229414 0.74 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL25001210 0.69 NPC1 (0.51) CDK2DRD4
SCHEMBL21746971 0.66 KDM4E (0.36)
SCHEMBL21733674 0.63 CCNA2 (0.35) CCNA2CDK2CCNA1GRM4
SCHEMBL13981264 0.62
SCHEMBL9219954 0.62 DRD4 (0.55) DRD2DRD4MAPK10RIPK1
SCHEMBL9212932 0.62 PIM1 (0.55) CCNA2CDK2CCNA1DRD2DRD4
SCHEMBL6791745 0.62 CCNA2 (0.64) CCNA2CDK2CCNA1MAPK10RIPK1
SCHEMBL6333956 0.61 CCNA2 (0.41) CCNA2CDK2CCNA1GRM4
Hydrochloric Acid SCHEMBL6792455 0.60 CCNA2 (0.74) CCNA2CDK2CCNA1GRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276833-B1 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMA (US) 1995-02-15 EP claimed
EP-0276833-A2 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP claimed
EP-0276833-B1 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMA (US) 1995-02-15 EP disclosed
EP-0276833-A2 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
US-4734430-A Dipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US disclosed