SCHEMBL27366399

SCHEMBL27366399

Cc1c(N2CCC(NC(=O)[C@H](C)N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
SCN5A Q14524 1/20 0.40
SLC2A1 P11166 1/20 0.37
BTK Q06187 5/20 0.35
DYRK3 O43781 1/20 0.34
PIM3 Q86V86 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
TOP1 P11387 1/20 0.33
EGFR P00533 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
JAK3 P52333 1/20 0.33
ITK Q08881 1/20 0.33
ERBB4 Q15303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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 SCHEMBL7504569 0.99 KCNH2 (0.43) KCNH2SCN5ASLC2A1BTKDYRK3
SCHEMBL8562871 0.95 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKEGFR
SCHEMBL27350832 0.94 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKDYRK3
Hydrochloric Acid SCHEMBL8562517 0.94 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKEGFR
Hydrochloric Acid SCHEMBL7507501 0.94 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKDYRK3
SCHEMBL8566628 0.90 SLC2A1 (0.47) KCNH2SCN5ASLC2A1BTKDYRK3
SCHEMBL8561869 0.89 DYRK3 (0.44) KCNH2SCN5ABTKDYRK3PIM3
SCHEMBL14497283 0.88 SCN5A (0.43) KCNH2SCN5ABTKDYRK3PIM3
SCHEMBL27451746 0.88 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKDYRK3
Hydrochloric Acid SCHEMBL27367343 0.87 KCNH2 (0.41) KCNH2SCN5ASLC2A1BTKDYRK3

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
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed