SCHEMBL17115674

SCHEMBL17115674

CC(=O)Cc1cc(N2CC(F)(F)C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.36
▸ SIK1 P57059 1/20 0.36
▸ SIK2 Q9H0K1 1/20 0.36
▸ SIK3 Q9Y2K2 1/20 0.36
▸ ACACB O00763 5/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ AOC3 Q16853 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.32

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
SCHEMBL15743130 0.87 LNPEP (0.39) LNPEPLRRK2SIK1SIK2SIK3
SCHEMBL15710158 0.85 SIK1 (0.40) LNPEPLRRK2SIK1SIK2SIK3
SCHEMBL17115671 0.81 CHRM4 (0.37) LNPEPLRRK2ACACBAOC3
SCHEMBL15752631 0.79 LNPEP (0.37) LNPEPACACBPROKR1
SCHEMBL17115679 0.79 AOC3 (0.39) LRRK2AOC3
SCHEMBL30489402 0.74 OPRM1 (0.39) LRRK2CYP2C9PROKR1
SCHEMBL17115658 0.73 POLB (0.44) —
SCHEMBL17115637 0.70 AOC3 (0.38) ACACBAOC3
SCHEMBL18861468 0.70 GLS (0.47) PROKR1MAP3K12GSK3B
SCHEMBL31107041 0.69 LRRK2 (0.35) LRRK2PROKR1

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-2015143340-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
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