SCHEMBL19981727

SCHEMBL19981727

COc1nnc(-c2ccc(F)c(NC(=O)c3cc4c(s3)C3CCC4C3)c2)cc1Nc1ccncn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPL P40238 11/20 0.35
BTK Q06187 4/20 0.34
ACP1 P24666 1/20 0.32
TYK2 P29597 1/20 0.31
SCN9A Q15858 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
BCL6 P41182 1/20 0.30

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 1.00 MPL (0.35) MPLBTKACP1TYK2SCN9A
SCHEMBL12025119 1.00 MPL (0.35) MPLBTKACP1TYK2SCN9A
SCHEMBL12045202 0.84 BTK (0.40) MPLBTKACP1TYK2
SCHEMBL12025120 0.84 BTK (0.48) MPLBTK
SCHEMBL19981666 0.84 BTK (0.48) MPLBTK
SCHEMBL12025121 0.84 BTK (0.48) MPLBTK
SCHEMBL9985299 0.84 BTK (0.48) MPLBTK
SCHEMBL19981730 0.75 ACP1 (0.44) MPLACP1SCN9A
SCHEMBL12025215 0.70 BTK (0.55) BTK
SCHEMBL1423849 0.69 BTK (0.51) BTK

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