SCHEMBL20633259

SCHEMBL20633259

C=C(Nc1cnccn1)N1CCCN(C)c2ccc(-c3ccc(F)c(C#N)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.34
▸ TBK1 Q9UHD2 5/20 0.33
▸ CYP11B2 P19099 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ CSNK1D P48730 1/20 0.30
▸ CSNK1E P49674 1/20 0.30
▸ IKBKE Q14164 1/20 0.30

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
SCHEMBL20632999 0.86 JAK2 (0.32) DYRK1AGSK3B
SCHEMBL20633271 0.84 RAB9A (0.38) DYRK1AGSK3B
SCHEMBL20631607 0.83 DYRK1A (0.36) CYP11B2CYP11B1DYRK1AGSK3B
SCHEMBL20632736 0.82 CDK5 (0.33) CYP11B2LRRK2
SCHEMBL20632434 0.82 GAA (0.39) DYRK1AGSK3B
SCHEMBL20632418 0.81 CYP11B2 (0.33) CYP11B2DYRK1AGSK3B
SCHEMBL20633366 0.80 RAB9A (0.33) DYRK1AGSK3B
SCHEMBL20632756 0.79 KMT2A (0.33) DYRK1AGSK3B
SCHEMBL20632941 0.79 CYP11B2 (0.33) CYP11B2DYRK1AGSK3B
SCHEMBL20632255 0.78 MEN1 (0.43) TRPV3GSK3B

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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