SCHEMBL6819013

SCHEMBL6819013

CNc1nc(NC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.56
▸ NUDT1 P36639 1/20 0.49
▸ TRIM58 Q8NG06 1/20 0.48
▸ ADORA1 P30542 9/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ DHFR P00374 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ ADORA2B P29275 2/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.42
▸ YTHDF2 Q9Y5A9 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL6816554 0.87 NOS1 (0.50) NOS1NUDT1ADORA1ADORA2ADHFR
SCHEMBL10456274 0.86 NOS1 (0.43) NOS1NUDT1TRIM58ADORA1ADORA2A
SCHEMBL6811045 0.84 NOS1 (0.41) NOS1NUDT1TRIM58ADORA1ADORA2A
SCHEMBL6811031 0.83 PIK3CG (0.64) NOS1ADORA1ADORA2ATDP1DHFR
SCHEMBL6814243 0.82 ADORA1 (0.48) NOS1ADORA1ADORA2ATDP1DHFR
SCHEMBL6811076 0.80 NUDT1 (0.45) NOS1NUDT1ADORA1ADORA2ATDP1
SCHEMBL6811620 0.80 NUDT1 (0.45) NOS1NUDT1ADORA1ADORA2ATDP1
SCHEMBL6815719 0.79 CYP1A2 (0.43) NOS1TRIM58TDP1ALDH1A1KDM4E
SCHEMBL11417487 0.75 NUDT1 (0.57) NUDT1TRIM58ADORA1ADORA2ATDP1
SCHEMBL6253328 0.74 ALDH1A1 (0.68) NOS1NUDT1ADORA2ATDP1DHFR

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
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