SCHEMBL10747876

SCHEMBL10747876

CC1(C)O[C@@H]2[C@@H](COCc3ccccc3)[C@@H](F)[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
AHCY P23526 5/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PDE2A O00408 2/20 0.43
AMD1 P17707 2/20 0.43
NT5E P21589 1/20 0.43
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RY12 Q9H244 2/20 0.41
HSPA5 P11021 1/20 0.40
P2RY2 P41231 1/20 0.40
P2RY1 P47900 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL17501769 0.90 AHCY (0.49) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10747082 0.90 AHCY (0.49) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10748149 0.90 PDE2A (0.40) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9025109 0.85 AHCY (0.53) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL9025101 0.85 AHCY (0.53) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10750271 0.81 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL21084884 0.81 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17501728 0.81 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10747736 0.81 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL10748829 0.79 TYMP (0.44) PI4KAPI4K2BPI4K2API4KBAHCY

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-4704392-A VIRICIDES SYNTEX (U.S.A.) INC. (US) 1987-11-03 US disclosed
US-4605659-A HERPES; HEPATITUS SYNTEX (U.S.A.) INC. (US) 1986-08-12 US disclosed