SCHEMBL9683394

SCHEMBL9683394

CCOP(=O)(CCCCOn1cnc2c(Cl)ncnc21)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
FGFR1 P11362 4/20 0.34
FGFR4 P22455 3/20 0.34
HDAC6 Q9UBN7 1/20 0.33
P2RX7 Q99572 2/20 0.33
DGAT1 O75907 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 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
SCHEMBL9683381 0.97 FDPS (0.42) FDPSHSP90AA1HSP90AB1FGFR1FGFR4
SCHEMBL9858079 0.87 FDPS (0.40) FDPSHSP90AA1HSP90AB1FGFR1FGFR4
SCHEMBL9683437 0.86 CYP3A4 (0.43) FGFR1CYP3A4CYP2D6
SCHEMBL9417142 0.84 FDPS (0.41) FDPSHSP90AA1HSP90AB1FGFR1FGFR4
SCHEMBL9683747 0.83 ADORA2A (0.43) FGFR1CYP3A4CYP2D6
SCHEMBL9685074 0.79 PTK2 (0.31)
SCHEMBL9684374 0.76 CDK1 (0.43) HSP90AA1HSP90AB1FGFR1CYP3A4CYP2D6
SCHEMBL9684186 0.76 PTK2 (0.33)
SCHEMBL9685502 0.74 FDPS (0.34) FDPSHSP90AA1HSP90AB1
SCHEMBL16617509 0.74 FDPS (0.46) FDPSFGFR1FGFR4HDAC6P2RX7

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
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed