SCHEMBL9417239

SCHEMBL9417239

Clc1ncnc2c1ncn2OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAPK1 P53355 2/20 0.49
ADORA2A P29274 2/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.41
NR2F2 P24468 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
TYMP P19971 1/20 0.39
HPGD P15428 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38

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
SCHEMBL9125187 0.83 ADORA2A (0.59) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9663142 0.80 HDAC1 (0.46) ADORA2AHDAC6CYP1A2
SCHEMBL9417173 0.77 GRM5 (0.42) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL30984022 0.76 ADORA2A (0.70) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2980291 0.76 ADORA2A (0.70) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL5459069 0.75 DAPK1 (0.67) DAPK1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL28003435 0.74 FDPS (0.43) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9417133 0.74 ACHE (0.36) DAPK1ADORA2AHDAC6CYP1A2HPGD
SCHEMBL9417129 0.73 DAPK1 (0.33) DAPK1HDAC6FGFR1FGFR4
SCHEMBL5440115 0.72 LTA4H (0.50) DAPK1HDAC6MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319228-B1 Novel compounds BEECHAM GROUP PLC (GB) 1994-11-02 EP disclosed
US-5247085-A Phosphonate containing purine compounds BEECHAM GROUP P.L.C. (GB) 1993-09-21 US disclosed
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
EP-0319228-A2 Novel compounds BEECHAM GROUP PLC (GB) 1989-06-07 EP disclosed