SCHEMBL4722898

SCHEMBL4722898

Nc1cc(Cl)c(-n2nc(-c3cc(Br)cc(-c4cnco4)c3)c3cccnc3c2=O)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAP4K4 O95819 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
ADORA2A P29274 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
SCHEMBL4723485 0.92 MEN1 (0.39) MEN1KMT2AMAP4K4PDE4APDE4B
SCHEMBL4723628 0.90 MEN1 (0.36) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4720610 0.89 MEN1 (0.33) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4719533 0.88 PDE4A (0.38) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4722814 0.88 MEN1 (0.36) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4722763 0.86 CCR9 (0.33) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4723380 0.86 BRAF (0.34) MEN1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL4720482 0.84 MEN1 (0.34) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL4721827 0.83 PDE4A (0.35) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL14101914 0.83 PDE4A (0.35) MEN1KMT2AMAP4K4PDE4APDE4B

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed