SCHEMBL20219550

SCHEMBL20219550

C=Cc1ncc(OC)c(N[C@H](CO)CC(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 7/20 0.38
▸ CX3CR1 P49238 7/20 0.38
▸ TRPM8 Q7Z2W7 5/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ P2RX2 Q9UBL9 3/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL20413269 0.82 CX3CR1 (0.42) CXCR2CX3CR1TRPM8CDK1TAS1R3
SCHEMBL15469950 0.81 CX3CR1 (0.44) CXCR2CX3CR1TRPM8ADORA1P2RX3
SCHEMBL20219573 0.79 TLR7 (0.35) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472468 0.75 TRPM8 (0.42) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL23472112 0.74 TLR7 (0.34) TRPM8MITFLMNAMAPTSMN1; SMN2
SCHEMBL20219410 0.72 TRPM8 (0.46) CXCR2CX3CR1TRPM8TAS1R3TAS1R1
SCHEMBL15469787 0.72 TRPM8 (0.45) TRPM8ADORA1P2RX3P2RX2
SCHEMBL20219351 0.72 TLR8 (0.54) TRPM8
SCHEMBL23472590 0.71 STK17A (0.31) —
SCHEMBL20386616 0.70 AGXT (0.39) —

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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