SCHEMBL23057760

SCHEMBL23057760

CCc1nc(N)c2c(-c3ccc(N)cc3C)cn(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.41
EIF2AK3 Q9NZJ5 4/20 0.33
CYP3A4 P08684 1/20 0.32
EIF2AK2 P19525 1/20 0.32
EIF2AK1 Q9BQI3 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
TLR8 Q9NR97 2/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCI P41743 1/20 0.31
TGFBR1 P36897 1/20 0.31
EGFR P00533 1/20 0.30
CDK1 P06493 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
SCHEMBL30062898 1.00 CRHR1 (0.41) CRHR1EIF2AK3CYP3A4EIF2AK2EIF2AK1
SCHEMBL29684355 0.84 CRHR1 (0.39) CRHR1EIF2AK3HAVCR2ADORA1ALDH1A1
SCHEMBL23043996 0.84 CRHR1 (0.39) CRHR1EIF2AK3HAVCR2ADORA1ALDH1A1
SCHEMBL23057766 0.79 CRHR1 (0.36) CRHR1EIF2AK3CYP3A4EIF2AK2EIF2AK1
SCHEMBL20351734 0.76 SRC (0.49) EIF2AK3CYP3A4EIF2AK2EIF2AK1TGFBR1
SCHEMBL23057767 0.72 DYRK1A (0.39) EIF2AK3CYP3A4EIF2AK2EIF2AK1SRC
SCHEMBL30060898 0.72 HAVCR2 (0.37) EIF2AK3CYP3A4HAVCR2ADORA1ALDH1A1
SCHEMBL30060936 0.72 DYRK1A (0.39) EIF2AK3CYP3A4EIF2AK2EIF2AK1SRC
SCHEMBL23057764 0.72 HAVCR2 (0.37) EIF2AK3CYP3A4HAVCR2ADORA1ALDH1A1
SCHEMBL23057749 0.72 EIF2AK3 (0.47) EIF2AK3

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-2021041975-A1 PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO disclosed