SCHEMBL9049223

SCHEMBL9049223

Cc1ccc2cc(-c3ccc(C(C)C)cc3Br)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.36
LMNA P02545 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CRHR1 P34998 5/20 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
SCHEMBL9045862 0.82 KDM4E (0.47) LMNACRHR1
SCHEMBL9046491 0.80 CRHR1 (0.41) LMNACRHR1
SCHEMBL9046572 0.77 CRHR1 (0.43) ADORA2AADORA1CRHR1
SCHEMBL9057759 0.74 LMNA (0.39) LMNAHDAC6CRHR1
SCHEMBL9045363 0.72 CRHR1 (0.37) LMNAADORA2AADORA1CRHR1
SCHEMBL9047218 0.71 CRHR1 (0.43) LMNAADORA2AADORA1CRHR1
SCHEMBL20470633 0.69 ADORA2A (0.49) ADORA2AADORA1
SCHEMBL890252 0.68 TSHR (0.39) ADORA2AADORA1
SCHEMBL9045141 0.66 CRHR1 (0.39) LMNACRHR1
SCHEMBL31661019 0.65 ADORA2A (0.65) LMNAADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed