SCHEMBL6839512

SCHEMBL6839512

Cc1cn(-n2cnc3cncnc32)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.34
▸ CYP1A2 P05177 8/20 0.34
▸ CYP2C9 P11712 7/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ CYP2C19 P33261 6/20 0.34
▸ FDPS P14324 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ USP2 O75604 3/20 0.32
▸ TSHR P16473 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ PMP22 Q01453 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
SCHEMBL2120550 0.75 FDPS (0.45) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL28150422 0.75 MKNK2 (0.43) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL28340215 0.74 FDPS (0.44) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL1426626 0.73 FDPS (0.34) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL28668207 0.71 FDPS (0.35) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL1375443 0.69 XDH (0.54) CYP3A4ALDH1A1HSD17B10USP2TSHR
SCHEMBL523465 0.69 XDH (0.47) CYP3A4ALDH1A1HSD17B10USP2TSHR
SCHEMBL731404 0.68 CYP2C9 (0.36) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL8171998 0.68 PNP (0.35) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL10664500 0.65 FDPS (0.46) CYP3A4CYP1A2CYP2C9ALDH1A1CYP2C19

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
US-20040058364-A1 Modified nucleotides and methods useful for nucleic acid sequencing INVITROGEN CORPORATION 2004-03-25 — — US disclosed
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