SCHEMBL13493697

SCHEMBL13493697

CCCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 18/20 0.63
▸ TYRO3 Q06418 2/20 0.43
▸ MERTK Q12866 2/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ AXL P30530 1/20 0.43

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
SCHEMBL12057847 0.97 IRAK4 (0.61) IRAK4TYRO3MERTKFLT3GAS6
SCHEMBL12058493 0.97 IRAK4 (0.61) IRAK4TYRO3MERTKFLT3GAS6
SCHEMBL21105746 0.95 IRAK4 (0.70) IRAK4
SCHEMBL12058437 0.92 IRAK4 (0.61) IRAK4
SCHEMBL12057815 0.91 IRAK4 (0.61) IRAK4
SCHEMBL12058046 0.90 IRAK4 (0.59) IRAK4
SCHEMBL12058018 0.89 IRAK4 (0.67) IRAK4
SCHEMBL12058215 0.89 IRAK4 (0.57) IRAK4
SCHEMBL12057683 0.87 IRAK4 (0.57) IRAK4
SCHEMBL13493527 0.87 IRAK4 (0.57) IRAK4TYRO3MERTKFLT3GAS6

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
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
Send feedback