SCHEMBL7940703

SCHEMBL7940703

Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(N)CC2)nc2ncn(C)c12

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.71
PSEN2 P49810 5/20 0.71
APH1B Q8WW43 5/20 0.71
NCSTN Q92542 5/20 0.71
APH1A Q96BI3 5/20 0.71
PSENEN Q9NZ42 5/20 0.71
KHK P50053 1/20 0.40
BRAF P15056 6/20 0.39
PAK4 O96013 2/20 0.39
PDE5A O76074 2/20 0.39
IDH2 P48735 1/20 0.37
PAK1 Q13153 2/20 0.36
CAMK1D Q8IU85 1/20 0.35

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
SCHEMBL2522696 0.88 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2524646 0.88 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2525557 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522664 0.86 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2526594 0.86 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7941001 0.85 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2525996 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2522362 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2521300 0.85 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12213679 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A

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-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed