SCHEMBL28047802

SCHEMBL28047802

CN1CCN(Cc2cccc(Cc3ccc(N)c(N)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MC4R P32245 1/20 0.53
CHKA P35790 5/20 0.49
PRMT6 Q96LA8 2/20 0.49
NCF1 P14598 2/20 0.49
CA2 P00918 1/20 0.49
PARP1 P09874 1/20 0.48
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
BRD4 O60885 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL547278 0.89 LMNA (0.66) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL13535291 0.83 MC4R (0.74) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL29715963 0.79 LMNA (0.64) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL469049 0.79 PRMT6 (0.72) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL62758 0.79 LMNA (0.64) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL16178546 0.77 LMNA (0.62) LMNAMC4RCHKAPRMT6NCF1
Hydrochloric Acid SCHEMBL1675838 0.77 LMNA (0.62) LMNAMC4RCHKAPRMT6NCF1
Hydrochloric Acid SCHEMBL14999805 0.77 LMNA (0.62) LMNAMC4RCHKAPRMT6NCF1
SCHEMBL22169184 0.77 LMNA (0.62) LMNAMC4RCHKAPRMT6NCF1
Hydrochloric Acid SCHEMBL3974793 0.77 LMNA (0.62) LMNAMC4RCHKAPRMT6NCF1

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
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed