SCHEMBL20633332

SCHEMBL20633332

C=C(Nc1ccncn1)N1c2nc(-c3cccc(C)c3)ccc2N2CC[C@@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.35
▸ KARS1 Q15046 2/20 0.34
▸ OPRK1 P41145 5/20 0.33
▸ FAAH O00519 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT8 Q9NR22 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ MTOR P42345 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KMO O15229 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 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
SCHEMBL20631665 0.95 SLC9A1 (0.35) SLC9A1KARS1OPRK1FAAHCHRNB2
SCHEMBL20632411 0.88 ABL1 (0.34) KARS1FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL20633316 0.85 OPRK1 (0.35) OPRK1FAAHMTOREGFR
SCHEMBL16776262 0.85 FAAH (0.39) SLC9A1FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL20632784 0.84 KARS1 (0.38) KARS1EGFRMEN1KMT2AKMO
SCHEMBL20631481 0.83 GAA (0.38) SLC9A1KARS1FAAHEGFRKMT2A
SCHEMBL20632133 0.83 MPL (0.35) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20632826 0.83 FAAH (0.33) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618430 0.80 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618517 0.80 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4

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
Send feedback