SCHEMBL20074869

SCHEMBL20074869

CCCCCn1nc(-c2ccc(F)cc2)c(CC)c1N

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
SMPD1 P17405 1/20 0.43
MAPK14 Q16539 1/20 0.40

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
SCHEMBL24114804 0.96 TLR8 (0.42) TLR8SMPD1MAPK14
SCHEMBL20074676 0.80 MAPK14 (0.56) TLR8MAPK14
SCHEMBL20074866 0.77 SLC34A1 (0.47) MAPK14
SCHEMBL20074996 0.77 SLC34A1 (0.54) MAPK14
SCHEMBL20074815 0.76 SLC34A1 (0.56)
SCHEMBL20075110 0.75 SLC34A1 (0.52) MAPK14
SCHEMBL21711509 0.75 SLC34A1 (0.54) MAPK14
SCHEMBL20075002 0.72 SLC9A5 (0.34) MAPK14
SCHEMBL20075127 0.71 SLC34A1 (0.49) MAPK14
SCHEMBL24114836 0.71 MAPK14 (0.38) MAPK14

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-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed