SCHEMBL14068882

SCHEMBL14068882

Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN=O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.54
▸ P2RX3 P56373 3/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ P2RX4 Q99571 2/20 0.49
▸ AMD1 P17707 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ OR51E2 Q9H255 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ AHCY P23526 1/20 0.37

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
SCHEMBL14068884 0.88 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16256552 0.86 PI4KA (0.78) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20133912 0.86 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16579246 0.82 RXFP1 (0.58) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12379161 0.82 RXFP1 (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16020541 0.82 RXFP1 (0.70) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20133914 0.81 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16256549 0.80 RXFP1 (0.56) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16256553 0.79 RXFP1 (0.55) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13400312 0.78 PI4KA (0.53) 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
WO-2008111082-A1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2008-09-18 — — WO disclosed
Send feedback