SCHEMBL9373702

SCHEMBL9373702

Nc1ncnc2c1ncn2C(F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 5/20 0.60
▸ PI4K2B Q8TCG2 5/20 0.60
▸ PI4K2A Q9BTU6 5/20 0.60
▸ PI4KB Q9UBF8 5/20 0.60
▸ ADORA2A P29274 5/20 0.60
▸ ADORA1 P30542 3/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ EGFR P00533 1/20 0.54

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
SCHEMBL4245944 0.84 ADORA2A (0.58) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13269011 0.82 ADORA2A (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28018567 0.82 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13268766 0.82 ADORA2A (0.65) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28731072 0.79 ADORA2A (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13269043 0.79 ADORA2A (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13268709 0.79 ADORA2A (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL7436865 0.77 ADORA2A (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL754007 0.76 ADORA2A (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrochloric Acid SCHEMBL30881556 0.74 ADORA2A (0.96) PI4KAPI4K2BPI4K2API4KBADORA2A

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-0399653-B1 Anticonvulsant triazolo[4,5-c]pyridine derivatives WELLCOME FOUND (GB) 1994-10-19 — — EP disclosed
US-5240937-A Treatment of epilepsy BURROUGHS WELLCOME CO. (US) 1993-08-31 — — US disclosed
US-5166209-A Triazolopyridine compounds as anticonvulsants for treatment of epilepsy BURROUGHS WELLCOME CO. (US) 1992-11-24 — — US disclosed
US-5095018-A Anticonvulsants BURROUGHS WELLCOME CO. (US) 1992-03-10 — — US disclosed
EP-0399653-A1 Anticonvulsant triazolo[4,5-c]pyridine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-28 — — EP disclosed
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