SCHEMBL7934006

SCHEMBL7934006

Nc1nc(Cl)c(OC(F)F)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ROCK1 Q13464 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL7932055 0.83 CCNA2 (0.39) NPSR1
SCHEMBL8874150 0.82 LRRK2 (0.34)
SCHEMBL8874055 0.82 RAB9A (0.31) HSP90AA1
SCHEMBL8874425 0.82 NUDT1 (0.33)
SCHEMBL9192068 0.81 ALDH1A1 (0.33)
SCHEMBL8874251 0.79 KDM4E (0.39) HSP90AA1
SCHEMBL8874173 0.78 KDM4E (0.37) HSP90AA1
SCHEMBL24309819 0.77 HSP90AA1 (0.40) DPP4NPSR1ADORA2AADORA1HSP90AA1
SCHEMBL8873470 0.76 CDK1 (0.42)
SCHEMBL8872685 0.75 TRPV4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445642-B1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF AG (DE) 1995-07-12 EP claimed
US-5283332-A 2-amino(fluoroalkoxy)pyrimidines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US claimed
EP-0445642-A1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF Aktiengesellschaft (DE) 1991-09-11 EP claimed
US-6235904-B1 VALUABLE INTERMEDIATES FOR ORGANIC SYNTHESES, ESPECIALLY FOR PREPARING CROP PROTECTION AGENTS. BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
EP-0445642-B1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF AG (DE) 1995-07-12 EP disclosed
US-5283332-A 2-amino(fluoroalkoxy)pyrimidines and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0445642-A1 2-Amino-(fluoralkoxy-pyrimidines) and process for their preparation BASF Aktiengesellschaft (DE) 1991-09-11 EP disclosed