SCHEMBL3137144

SCHEMBL3137144

CNC1(CNc2cnc(C)c(-c3ccncc3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
PDE3B Q13370 9/20 0.34
PDE3A Q14432 9/20 0.34
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
Hydrochloric Acid SCHEMBL3770812 0.99 SYK (0.35) SYKPDE3BPDE3ARAF1BRAF
SCHEMBL3142559 0.86 PIK3CD (0.34) SYKNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3147359 0.86 SYK (0.40) SYKNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3151010 0.78 PDE3B (0.34) PDE3BPDE3A
Hydrochloric Acid SCHEMBL3779595 0.77 PDE3B (0.33) PDE3BPDE3A
SCHEMBL3151064 0.76 RAF1 (0.38) PDE3BPDE3ARAF1BRAF
SCHEMBL3151394 0.76 NTRK1 (0.33) PDE3BPDE3A
SCHEMBL3151084 0.75 CHRNB4 (0.40) SYKNPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3784272 0.75 NTRK1 (0.33) PDE3BPDE3A
Hydrochloric Acid SCHEMBL3779005 0.74 CHRNB4 (0.39) SYKNPC1MAPTRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed