SCHEMBL13065411

SCHEMBL13065411

CC(=O)N1CCN([C@@H](C)COc2ccc(C3(O)CCN(c4ccc5nnc(CF)n5n4)CC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.59
RXFP1 Q9HBX9 11/20 0.44
KCNH2 Q12809 3/20 0.42
BRD4 O60885 1/20 0.42
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.39
DRD3 P35462 1/20 0.38
ATM Q13315 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
SCHEMBL13065413 1.00 AR (0.59) ARRXFP1KCNH2BRD4KMT2A
SCHEMBL3473287 0.88 AR (0.75) ARRXFP1KCNH2BRD4DPP4
SCHEMBL3473971 0.88 AR (0.75) ARRXFP1KCNH2BRD4DPP4
SCHEMBL748810 0.88 AR (0.75) ARRXFP1KCNH2BRD4DPP4
SCHEMBL748953 0.86 AR (0.71) ARRXFP1KCNH2BRD4DPP4
SCHEMBL3475748 0.86 AR (0.71) ARRXFP1KCNH2BRD4DPP4
SCHEMBL13030810 0.86 AR (0.71) ARRXFP1KCNH2BRD4DPP4
SCHEMBL752809 0.74 AR (1.00) ARKCNH2BRD4DRD3
SCHEMBL750071 0.71 AR (0.73) ARRXFP1KCNH2BRD4DPP4
SCHEMBL13064620 0.70 BRD4 (0.59) ARRXFP1KCNH2BRD4DPP4

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
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed