SCHEMBL6643409

SCHEMBL6643409

Cc1ccc2c(nc(N)n2N)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 3/20 0.41
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NOS3 P29474 2/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PRF1 P14222 1/20 0.31

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
SCHEMBL28566639 0.81 CLK4 (0.42) NOS2MAPTKDM4EMAPK1NOS3
SCHEMBL5597800 0.77 NOS2 (0.37) NOS2TLR8LMNAMEN1ALDH1A1
SCHEMBL3291513 0.71 TLR8 (0.36) TLR8
SCHEMBL30241135 0.71 PTGDR2 (0.40) KDM4ETLR8MEN1ALDH1A1KMT2A
SCHEMBL14301805 0.68 CYP1A2 (0.44) MAPTKDM4EMAPK1LMNAPOLB
SCHEMBL4978700 0.65 CLK4 (0.42) KDM4ETLR8
SCHEMBL14958066 0.65 PDE3B (0.35) MAPTKDM4EMAPK1LMNAPOLB
SCHEMBL16739927 0.65 NOS3 (0.31) NOS2NOS3NOS1ALDH1A1
SCHEMBL3294049 0.65 KMT2A (0.35) MAPTKDM4EMAPK1LMNAPOLB
SCHEMBL14957158 0.64 PDE3B (0.34) MAPTKDM4EMAPK1LMNAPOLB

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-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — WO disclosed
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