SCHEMBL16224484

SCHEMBL16224484

CC[C@@H]1C[C@H](O)CN1c1cc(Cl)nc(CC2CC2(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 1/20 0.33

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
SCHEMBL16224512 0.78 — —
SCHEMBL16224518 0.76 MAP3K12 (0.33) MAP3K12
SCHEMBL20340924 0.74 AKT1 (0.39) MAP3K12
SCHEMBL17510275 0.73 MAP3K12 (0.56) MAP3K12
SCHEMBL9893030 0.60 DRD4 (0.43) —
SCHEMBL9893036 0.59 ACACB (0.44) —
SCHEMBL9893053 0.59 SORD (0.37) —
SCHEMBL9893045 0.58 SMN1; SMN2 (0.56) —
SCHEMBL9893033 0.58 SMN1; SMN2 (0.56) —
SCHEMBL9893158 0.58 SMN1; SMN2 (0.44) —

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-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 — — WO disclosed
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