SCHEMBL19365327

SCHEMBL19365327

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)CCCN3C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ WNT3A P56704 6/20 0.34
▸ FGFR4 P22455 3/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MPL P40238 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
SCHEMBL19670569 0.89 FAAH (0.36) FAAHCYP11B2ABL1WNT3ARPS6KA2
SCHEMBL19364831 0.88 CYP11B2 (0.41) CYP11B2ABL1WNT3AFGFR4PORCN
SCHEMBL19365531 0.87 FGFR4 (0.49) FAAHABL1WNT3AFGFR4RPS6KA2
SCHEMBL19365504 0.84 CYP11B2 (0.37) CYP11B2ABL1WNT3AFGFR4PORCN
SCHEMBL19365719 0.83 HTR2C (0.52) —
SCHEMBL12654199 0.83 FGFR4 (0.44) FAAHCYP11B2ABL1WNT3AFGFR4
SCHEMBL19365738 0.83 FGFR4 (0.37) CYP11B2ABL1WNT3AFGFR4PORCN
SCHEMBL19365813 0.82 RPS6KA3 (0.36) CYP11B2ABL1WNT3ARPS6KA2
SCHEMBL20632688 0.81 ABL1 (0.34) CYP11B2ABL1WNT3AFGFR4GAA
SCHEMBL19365819 0.81 PIK3CA (0.42) WNT3A

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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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