SCHEMBL21909261

SCHEMBL21909261

CC(C)(C)OC(=O)NC1CCC(Nc2nccc(-c3cccnc3Oc3c(F)cc(N)cc3F)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.46
MAPK10 P53779 10/20 0.46
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
RET P07949 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
SCHEMBL28554822 1.00 ERN1 (0.46) ERN1MAPK10MAPK8MAPK9RET
SCHEMBL25071801 1.00 ERN1 (0.46) ERN1MAPK10MAPK8MAPK9RET
SCHEMBL28555901 0.95 ERN1 (0.49) ERN1MAPK10
SCHEMBL25071795 0.95 ERN1 (0.49) ERN1MAPK10
SCHEMBL28551474 0.95 ERN1 (0.48) ERN1MAPK10
SCHEMBL21908731 0.95 ERN1 (0.48) ERN1MAPK10
SCHEMBL25072096 0.95 ERN1 (0.48) ERN1MAPK10
SCHEMBL24435876 0.88 TEK (0.42) ERN1MAPK10MAPK8MAPK9
SCHEMBL29633613 0.88 TEK (0.42) ERN1MAPK10MAPK8MAPK9
SCHEMBL31145241 0.87 MAPK10 (0.45) ERN1MAPK10MAPK8MAPK9RET

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-2020056089-A1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-03-19 WO disclosed