SCHEMBL17072186

SCHEMBL17072186

c1cc2c(s1)c1c3ccsc3c3c4ccsc4c4c5ccsc5c5c6ccsc6c6c7ccsc7c2c2c1c3c4c5c62

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
TERT O14746 1/20 0.33
PARP1 P09874 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL20213576 0.87 DYRK1A (0.37) DYRK1ATERTCDK4CCND1CHEK1
SCHEMBL12270275 0.83 DYRK1A (0.38) DYRK1ATERTPARP1CDK4CCND1
SCHEMBL929859 0.79 DYRK1A (0.39) DYRK1ATERTPARP1CHEK1AURKA
SCHEMBL12270262 0.74 GPR3 (0.41) CDK4CCND1LIMK1CDK5KDM4E
SCHEMBL16429543 0.73 TERT (0.35) DYRK1ATERTPARP1CDK4CCND1
SCHEMBL12270158 0.72 KDM4E (0.37) KDM4E
SCHEMBL16429395 0.72 TERT (0.34) DYRK1ATERTPARP1CDK4CCND1
SCHEMBL12270422 0.71 GPR3 (0.43) CDK4CCND1NTRK1LIMK1CDK5
SCHEMBL24129763 0.70 KDM4E (0.34) DYRK1AKDM4E
SCHEMBL2036883 0.70 GPR35 (0.36)

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
US-9136483-B1 Thiophene fused azacoronenes: regioselective synthesis, self organization, charge transport, and its incorporation in conjugated polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-15 US disclosed