SCHEMBL19981730

SCHEMBL19981730

CNc1cc(-c2cc(Nc3ccncn3)c(OC)nn2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
MKNK1 Q9BUB5 4/20 0.35
MKNK2 Q9HBH9 3/20 0.35
MPL P40238 4/20 0.35
SCN9A Q15858 11/20 0.33

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
SCHEMBL12025103 0.75 MPL (0.35) ACP1MPLSCN9A
SCHEMBL12025119 0.75 MPL (0.35) ACP1MPLSCN9A
SCHEMBL19981727 0.75 MPL (0.35) ACP1MPLSCN9A
SCHEMBL12045202 0.74 BTK (0.40) ACP1MPL
SCHEMBL2466256 0.73 ACP1 (0.42) ACP1MKNK1MKNK2SCN9A
SCHEMBL31075101 0.65 TGFBR1 (0.47) MKNK1MKNK2MPL
SCHEMBL27998656 0.63 MAPK10 (0.56) ACP1MKNK1MKNK2MPL
SCHEMBL30263685 0.62 MPL (0.47) MKNK1MKNK2MPLSCN9A
SCHEMBL12045170 0.62 GSK3A (0.41) ACP1MKNK1MKNK2MPL
SCHEMBL22084661 0.62 HRH3 (0.36) ACP1

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed