SCHEMBL18833772

SCHEMBL18833772

Nc1nc2c(c(=O)[nH]1)N(Cc1ccccc1)CN2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.51
▸ PNP P00491 9/20 0.49
▸ TYMS P04818 1/20 0.46
▸ QTRT1 Q9BXR0 1/20 0.41
▸ XDH P47989 2/20 0.40

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
SCHEMBL20432204 0.88 TYMS (0.47) NOS1PNPTYMSXDH
SCHEMBL4144591 0.80 HPRT1 (0.50) NOS1PNPTYMSQTRT1
SCHEMBL15026991 0.71 SLC6A5 (0.44) —
SCHEMBL1062004 0.70 PNP (0.43) NOS1PNPTYMS
SCHEMBL19204413 0.70 NOS1 (0.47) NOS1PNP
SCHEMBL10506935 0.69 MAPT (0.50) PNPTYMSXDH
SCHEMBL8912815 0.69 TSHR (0.57) PNPTYMS
SCHEMBL9798195 0.69 HPRT1 (0.47) PNP
SCHEMBL10508281 0.68 HPRT1 (0.49) PNPTYMSXDH
SCHEMBL10506681 0.68 HPRT1 (0.48) NOS1PNPTYMS

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-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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