SCHEMBL9874531

SCHEMBL9874531

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(F)F)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
PI4K2A Q9BTU6 1/20 0.67
PI4KB Q9UBF8 1/20 0.67
RXFP1 Q9HBX9 1/20 0.58
P2RX1 P51575 1/20 0.55
P2RX3 P56373 1/20 0.55
P2RX4 Q99571 1/20 0.55
AMD1 P17707 2/20 0.52
AHCY P23526 4/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
GAA P10253 1/20 0.45
DPP4 P27487 1/20 0.45

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
SCHEMBL18009817 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18026181 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21413864 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5034920 0.88 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL2291251 0.86 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL28023791 0.84 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL11408140 0.84 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1757325 0.84 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18127422 0.84 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL11408135 0.83 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBRXFP1

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
US-4997925-A Enzyme inhibitors, viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-05 US disclosed