SCHEMBL7772129

SCHEMBL7772129

COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(CO)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.46
HSP90AA1 P07900 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
AURKB Q96GD4 2/20 0.45
INCENP Q9NQS7 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CCR1 P32246 1/20 0.43
HTT P42858 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL7770337 0.94 ADORA3 (0.43) SYKHSP90AA1L3MBTL1AURKBINCENP
SCHEMBL8596986 0.91 ABL1 (0.44) SYKNPC1RAB9AKDM4ETP53
SCHEMBL15996444 0.89 HSP90AA1 (0.42) SYKHSP90AA1L3MBTL1NPC1PKM
SCHEMBL7771784 0.88 HSP90AA1 (0.45) SYKHSP90AA1L3MBTL1AURKBINCENP
SCHEMBL7454751 0.86 NPC1 (0.57) SYKHSP90AA1L3MBTL1NPC1PKM
SCHEMBL31260432 0.86 NPC1 (0.57) SYKHSP90AA1L3MBTL1NPC1PKM
SCHEMBL8935757 0.84 ADORA3 (0.43) HSP90AA1NPC1RAB9AKDM4ETP53
SCHEMBL8597039 0.83 MEN1 (0.44) SYKHSP90AA1L3MBTL1AURKBINCENP
SCHEMBL7770338 0.82 FFAR1 (0.43) SYKHSP90AA1L3MBTL1AURKBINCENP
SCHEMBL7766604 0.81 NPC1 (0.51) SYKHSP90AA1L3MBTL1NPC1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed