SCHEMBL740637

SCHEMBL740637

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5[nH]nc(N)c5c4)cc3)C2)nc2c(C)cccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.37
CFD P00746 2/20 0.35
BTK Q06187 2/20 0.34
DYRK1A Q13627 2/20 0.34
LYN P07948 1/20 0.34
GRK2 P25098 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3A P49840 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK7 Q13164 1/20 0.34
DYRK2 Q92630 1/20 0.34
JAK2 O60674 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 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
SCHEMBL740638 1.00 GSK3B (0.37) GSK3BCFDBTKDYRK1ALYN
SCHEMBL739856 0.89 PIK3CD (0.37) BTKROCK2ROCK1
SCHEMBL739855 0.89 PIK3CD (0.37) BTKROCK2ROCK1
SCHEMBL7897518 0.87 GSK3B (0.40) GSK3BCFDBTKDYRK1A
SCHEMBL741966 0.86 AKT1 (0.36) CFDBTK
SCHEMBL742052 0.86 AKT1 (0.36) CFDBTK
SCHEMBL742030 0.85 NSD2 (0.36)
SCHEMBL742029 0.85 NSD2 (0.36)
SCHEMBL740398 0.85 ALDH1A1 (0.36) CFDBTKDYRK1A
SCHEMBL740397 0.85 ALDH1A1 (0.36) CFDBTKDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed