SCHEMBL23472604

SCHEMBL23472604

COc1cnc(N)nc1N[C@H](CO)C(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.41
▸ TRPM8 Q7Z2W7 5/20 0.39
▸ P2RX3 P56373 10/20 0.39
▸ P2RX2 Q9UBL9 10/20 0.39
▸ 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
▸ TRPV3 Q8NET8 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
SCHEMBL23472485 0.90 TRPM8 (0.45) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL15469788 0.90 TRPM8 (0.45) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL13195755 0.86 TRPM8 (0.40) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL20219325 0.86 TRPM8 (0.40) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL21769311 0.84 TRPM8 (0.46) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL15469950 0.79 CX3CR1 (0.44) NUDT1TRPM8P2RX3P2RX2
SCHEMBL23472142 0.79 TRPM8 (0.44) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL19274227 0.79 TRPM8 (0.44) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL15470343 0.79 TRPM8 (0.44) NUDT1TRPM8P2RX3P2RX2MITF
SCHEMBL13195079 0.78 NUDT1 (0.43) NUDT1TRPM8P2RX3P2RX2SMN1; SMN2

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
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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