SCHEMBL23780644

SCHEMBL23780644

Nc1cc(CCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.69
GSK3A P49840 3/20 0.69
CDK1 P06493 2/20 0.69
CCNB2 O95067 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MKNK2 Q9HBH9 3/20 0.35
IDO1 P14902 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKCQ Q04759 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CDK5 Q00535 1/20 0.32

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
Hydrochloric Acid SCHEMBL18813498 0.99 GSK3B (0.68) GSK3BGSK3ACDK1CCNB2CCNB1
Ammonia Solution, Strong SCHEMBL25170649 0.84 GSK3B (0.80) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29356298 0.82 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL29358332 0.82 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14672557 0.82 GSK3B (1.00) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL25380092 0.81 GSK3B (0.98) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL30442834 0.81 GSK3B (0.98) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4417357 0.81 GSK3B (0.69) GSK3BGSK3ACDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL4425172 0.80 GSK3B (0.68) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL5076233 0.76 GSK3B (0.43) GSK3BGSK3ACDK1CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210275595-A1 NAÏVE HUMAN EMBRYONIC VASCULAR PROGENITOR CELLS AND METHODS OF TREATMENT THE JOHNS HOPKINS UNIVERSITY 2021-09-09 US claimed
US-20220228111-A1 NOCICEPTOR DIFFERENTIATION FROM HUMAN PLURIPOTENT STEM CELLS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-21 US disclosed