SCHEMBL22200564

SCHEMBL22200564

CSc1ncc2cc(-c3cc(F)c(NSCc4ccccc4F)c(F)c3F)c(=O)n(C(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
BTK Q06187 1/20 0.36
ABL1 P00519 5/20 0.33
SRC P12931 4/20 0.33
WEE1 P30291 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 3/20 0.32
POLB P06746 1/20 0.31
MAPK14 Q16539 1/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
TOP2A P11388 1/20 0.30
LMNA P02545 1/20 0.30
CXCR2 P25025 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
SCHEMBL22200519 0.91 ERN1 (0.42) ERN1BTKABL1SRCWEE1
SCHEMBL22200561 0.90 ERN1 (0.39) ERN1TSHRHTTBTKABL1
SCHEMBL22190811 0.85 ERN1 (0.50) ERN1TSHRHTTBTKABL1
SCHEMBL29356779 0.85 ERN1 (0.50) ERN1TSHRHTTBTKABL1
SCHEMBL22200566 0.83 ERN1 (0.40) ERN1TSHRHTTBTKABL1
SCHEMBL22200701 0.81 ERN1 (0.42) ERN1BTKABL1SRCWEE1
SCHEMBL22200333 0.79 ERN1 (0.46) ERN1BTKABL1WEE1MAPK14
SCHEMBL22200391 0.78 ERN1 (0.35) ERN1TSHRHTTBTKABL1
SCHEMBL22191061 0.77 ERN1 (0.35) ERN1BTKABL1
SCHEMBL29353184 0.77 ERN1 (0.35) ERN1BTKABL1

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-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed