SCHEMBL6811045

SCHEMBL6811045

CNc1nc(NC)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRIM58 Q8NG06 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ADORA1 P30542 5/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
NUDT1 P36639 1/20 0.33

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
SCHEMBL6819013 0.84 NOS1 (0.56) NOS1MEN1KMT2APOLBKDM4E
SCHEMBL6814243 0.82 ADORA1 (0.48) NOS1MEN1KMT2ARXFP1KDM4E
SCHEMBL6814345 0.77 KDM4E (0.43) NOS1MEN1KMT2APOLBRXFP1
SCHEMBL6815719 0.77 CYP1A2 (0.43) NOS1KDM4ELMNATRIM58ALDH1A1
SCHEMBL10456274 0.71 NOS1 (0.43) NOS1MEN1KMT2AKDM4ELMNA
SCHEMBL6811031 0.68 PIK3CG (0.64) NOS1MEN1KMT2APOLBKDM4E
SCHEMBL6814751 0.68 TRIM58 (0.31) TRIM58
SCHEMBL29913237 0.67 HEXA (0.50) MEN1KMT2AKDM4ELMNATRIM58
SCHEMBL6811076 0.66 NUDT1 (0.45) NOS1MEN1KMT2APOLBKDM4E
SCHEMBL6811620 0.66 NUDT1 (0.45) NOS1MEN1KMT2APOLBKDM4E

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