SCHEMBL16615299

SCHEMBL16615299

CN1CCN(C(=O)c2ccc(NC(=O)c3c4c5c(n3-4)NCCN5Cc3cc(Cl)ccc3Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
MET P08581 1/20 0.39
MAP4K2 Q12851 1/20 0.39
MAP3K1 Q13233 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 2/20 0.39
MC5R P33032 1/20 0.39
FLT3 P36888 1/20 0.39
NAMPT P43490 1/20 0.38
ABL1 P00519 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL16615358 0.92 CCNC (0.46) MC5RFLT3MAPTALKCFTR
SCHEMBL16615074 0.90 MAPT (0.45) POLBHPGDKMT2ALMNAEPHX2
SCHEMBL16615268 0.83 KDM4E (0.41) POLBTP53EPHX2RAB9ACCNC
SCHEMBL16615216 0.82 ALK (0.49) MC5RALKCCNCCDK8
SCHEMBL16615102 0.81 MAPT (0.44) POLBHPGDKMT2ALMNARAB9A
SCHEMBL16615113 0.80 ALK (0.47) POLBUSP2HPGDMETMAP4K2
SCHEMBL16615217 0.77 KCNQ2 (0.44) POLBUSP2HPGDKMT2AALOX15
SCHEMBL20859358 0.76 POLB (0.39) POLBUSP2HPGDMETMAP4K2
SCHEMBL16615213 0.75 EPHX2 (0.43) HPGDKMT2ALMNAEPHX2FLT3
SCHEMBL16615215 0.74 ALK (0.50) POLBHPGDKMT2ALMNATP53

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
WO-2015047133-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" 2015-04-02 WO disclosed