SCHEMBL15976807

SCHEMBL15976807

C=C(OC)c1cccc(C2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)[S+]([O-])CC4)CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.32
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL10266538 0.92 SOS1 (0.34) SOS1SCN9A
SCHEMBL12921307 0.91 — —
SCHEMBL12921209 0.88 SOS1 (0.37) SOS1
SCHEMBL8053421 0.88 DRD2 (0.36) —
SCHEMBL8060129 0.88 CDK1 (0.36) —
SCHEMBL12921221 0.87 KDM4E (0.36) SCN9A
SCHEMBL8058982 0.85 DRD3 (0.37) SCN9A
SCHEMBL12921309 0.85 DRD2 (0.33) —
SCHEMBL8056390 0.85 DRD2 (0.36) SOS1
SCHEMBL373806 0.85 TP53 (0.32) —

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-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 — — EP disclosed
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