SCHEMBL9828030

SCHEMBL9828030

O=C(OCCOCn1cnc2c(Cl)ncnc21)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.52
HDAC6 Q9UBN7 2/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
EGFR P00533 1/20 0.46
FDPS P14324 1/20 0.43
FGFR1 P11362 7/20 0.43
FGFR4 P22455 7/20 0.43
ENPP1 P22413 2/20 0.41
POLB P06746 1/20 0.41
NT5E P21589 1/20 0.41

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
SCHEMBL4094131 0.87 EGFR (0.64) FLT4KDREGFRFGFR1ENPP1
SCHEMBL11242909 0.86 P2RX7 (0.48) P2RX7HDAC6POLB
SCHEMBL9369791 0.85 HDAC1 (0.48) HDAC6
SCHEMBL11729464 0.84 HDAC1 (0.48) HDAC6
SCHEMBL7448126 0.82 MEN1 (0.53) P2RX7HDAC6FDPSFGFR1FGFR4
SCHEMBL11281534 0.81 FBP1 (0.40) P2RX7KDREGFR
SCHEMBL8188011 0.78 P2RX7 (0.47) P2RX7HDAC6FLT4KDREGFR
SCHEMBL8173334 0.77 P2RX7 (0.44) P2RX7HDAC6FLT4KDREGFR
SCHEMBL8173320 0.77 P2RX7 (0.44) P2RX7HDAC6FLT4KDREGFR
SCHEMBL8173326 0.77 P2RX7 (0.44) P2RX7HDAC6FLT4KDREGFR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212535-B1 N6-DISUBSTITUTED PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-05-29 EP disclosed
US-4853386-A INHIBITORS OF SRS-A(SLOW REACTING SUBSTANCE OF ANAPHYLAXIS) FROM LUNG TISSUES BOEHRINGER MANNHEIM GMBH (DE) 1989-08-01 US disclosed
EP-0212535-A1 N6-disubstituted purine derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1987-03-04 EP disclosed
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4287188-A PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS BURROUGHS WELLCOME CO. (US) 1981-09-01 US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed