SCHEMBL9705489

SCHEMBL9705489

Nc1nc2c(ncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=S)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.42
PNP P00491 5/20 0.40
ALDH1A1 P00352 2/20 0.35
ADK P55263 1/20 0.33
NOS1 P29475 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6699248 0.84 XDH (0.61) XDHPNP
SCHEMBL22901881 0.79 PI4KA (0.47) XDHPNPALDH1A1
SCHEMBL3759472 0.76 XDH (0.70) XDHPNPALDH1A1KDM4E
SCHEMBL8302 0.73 XDH (0.39) XDHPNPALDH1A1
SCHEMBL13717310 0.72 AHCY (0.40)
SCHEMBL3291325 0.70 CDK1 (0.47) XDHALDH1A1
SCHEMBL9001851 0.70 XDH (0.37) XDHPNPALDH1A1
SCHEMBL29159183 0.70 ALDH1A1 (0.37) XDHPNPALDH1A1
SCHEMBL6699970 0.70 PI4KA (0.59)
SCHEMBL1746164 0.69 TK1 (0.37) XDHPNPALDH1A1

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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed