SCHEMBL20219325

SCHEMBL20219325

CCC(C)C(CO)Nc1nc(N)ncc1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ P2RX3 P56373 11/20 0.38
▸ P2RX2 Q9UBL9 11/20 0.38
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13195755 1.00 TRPM8 (0.40) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL23472142 0.90 TRPM8 (0.44) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL19274227 0.90 TRPM8 (0.44) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL15470343 0.90 TRPM8 (0.44) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL23472645 0.87 TRPM8 (0.40) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL23472604 0.86 NUDT1 (0.41) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL20418783 0.84 P2RX3 (0.36) TRPM8NUDT1P2RX3P2RX2SMN1; SMN2
SCHEMBL13195079 0.83 NUDT1 (0.43) TRPM8NUDT1P2RX3P2RX2SMN1; SMN2
SCHEMBL21769311 0.81 TRPM8 (0.46) TRPM8NUDT1P2RX3P2RX2MITF
SCHEMBL15469992 0.80 TLR8 (0.42) —

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
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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