SCHEMBL19670496

SCHEMBL19670496

CCN1CCCN(C(=O)Nc2cnccn2)c2nc(-c3cc(F)c(F)c(F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ FAAH O00519 3/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ FGFR4 P22455 3/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ PRMT3 O60678 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
SCHEMBL19670124 0.86 WNT3A (0.40) CSF1R
SCHEMBL19670433 0.85 ALOX15 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4FGFR4
SCHEMBL19365562 0.84 MTOR (0.41) MTORPIK3R1FAAHGSK3BMLLT1
SCHEMBL19699074 0.84 FAAH (0.37) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19670344 0.82 FGFR4 (0.35) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16776152 0.81 FAAH (0.35) FAAHFGFR4GSK3BSIRT2CDK8
SCHEMBL19670348 0.80 CHRNB2 (0.34) MTORCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20632999 0.78 JAK2 (0.32) GSK3BCDK8GSK3ACDK9CDK5
SCHEMBL20632331 0.76 DYRK1A (0.40) FAAHFGFR4GSK3BCDK8GSK3A
SCHEMBL17655361 0.76 ROCK2 (0.36) SMN1; SMN2PRMT3TSHR

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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