SCHEMBL10875724

SCHEMBL10875724

Nc1cncnc1NCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ SMN1; SMN2 Q16637 9/20 0.55
▸ HTT P42858 7/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ TSHR P16473 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK1 P28482 7/20 0.50
▸ LMNA P02545 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49

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
SCHEMBL11020702 0.79 SMN1; SMN2 (0.54) POLBSMN1; SMN2HTTRAB9AHIF1A
SCHEMBL10875783 0.75 SMN1; SMN2 (0.57) POLBSMN1; SMN2HTTRAB9AHIF1A
SCHEMBL9387866 0.75 CLK4 (0.42) POLBSMN1; SMN2HTTHIF1ATSHR
SCHEMBL21636908 0.75 CYP1A2 (0.58) SMN1; SMN2HTTRAB9AHIF1ATSHR
SCHEMBL10877514 0.73 CYP1A2 (0.61) SMN1; SMN2RAB9ATSHRMEN1KMT2A
SCHEMBL17009430 0.73 POLB (1.00) POLBSMN1; SMN2HTTRAB9AHIF1A
SCHEMBL14779321 0.72 SMN1; SMN2 (0.56) POLBSMN1; SMN2HTTRAB9AHIF1A
SCHEMBL20119913 0.71 POLB (0.66) POLBSMN1; SMN2HTTRAB9AHIF1A
Kinetin SCHEMBL15705 0.71 SMN1; SMN2 (0.66) POLBSMN1; SMN2HTTRAB9AHIF1A
Kinetin SCHEMBL29829493 0.71 SMN1; SMN2 (0.66) POLBSMN1; SMN2HTTRAB9AHIF1A

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-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 — — EP disclosed
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