SCHEMBL22239936

SCHEMBL22239936

C=C(N)c1ccc2c(n1)N(C(=C)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GRM5 P41594 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ATG4B Q9Y4P1 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
SCHEMBL22239757 0.90 MEN1 (0.35) MEN1KMT2AHTTBTKPTPN11
SCHEMBL22240057 0.86 MEN1 (0.34) MEN1KMT2AGRM5RAB9AALDH1A1
SCHEMBL22239708 0.85 MEN1 (0.32) MEN1KMT2AHTTALDH1A1
SCHEMBL22240267 0.85 MEN1 (0.34) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL22240073 0.85 HTT (0.34) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL22239993 0.85 KDM4E (0.35) MEN1KMT2AHTTRAB9AALDH1A1
SCHEMBL22240325 0.85 MEN1 (0.32) MEN1KMT2AHTTPTPN11
SCHEMBL22240214 0.85 MEN1 (0.32) MEN1KMT2AHTTPTPN11
SCHEMBL22240218 0.84 FGFR4 (0.37) MEN1KMT2AHTTBTKNPC1
SCHEMBL22240215 0.84 NOS2 (0.32) MEN1KMT2AHTT

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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