SCHEMBL6913741

SCHEMBL6913741

CN(C)c1nc([AsH2])nc2ncc(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.54
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPC1 O15118 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADK P55263 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36

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
SCHEMBL6814034 0.84 NOS1 (0.56) NOS1MEN1KMT2ATSHRNPC1
SCHEMBL5514818 0.83 NOS1 (0.78) NOS1ADK
SCHEMBL5516535 0.70 NOS1 (1.00) NOS1ADK
SCHEMBL5512351 0.69 NOS1 (0.75) NOS1ALDH1A1NPC1RAB9A
SCHEMBL4460914 0.68 NOS1 (0.42) NOS1ALDH1A1TSHRNPC1RAB9A
Water SCHEMBL6484545 0.68 NOS1 (0.73) NOS1ALDH1A1NPC1RAB9A
SCHEMBL5513451 0.68 NOS1 (1.00) NOS1ALDH1A1
SCHEMBL5510752 0.67 NOS1 (0.72) NOS1ALDH1A1NPC1RAB9A
Water SCHEMBL6484322 0.66 NOS1 (0.70) NOS1ALDH1A1NPC1RAB9A
SCHEMBL7823397 0.66 NOS1 (0.54) NOS1NPC1PDGFRBKDRFLT3

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-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP claimed