SCHEMBL5262087

SCHEMBL5262087

COc1ccc(-c2nccs2)nc1Nc1ncc(N)cc1C1CN2CCC1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.36
SRC P12931 4/20 0.36
ZAP70 P43403 3/20 0.36
JAK2 O60674 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
PDGFRB P09619 1/20 0.34
FGR P09769 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
BLK P51451 1/20 0.34

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 SCHEMBL4901256 0.99 SYK (0.35) SYKSRCZAP70JAK2LCK
SCHEMBL4902856 0.66 CDK4 (0.40) IGF1R
SCHEMBL4891073 0.66 CTSC (0.40) SYKSRCZAP70CYP1A1CYP1A2
Hydrochloric Acid SCHEMBL4901468 0.66 CDK4 (0.43) IGF1R
SCHEMBL4901213 0.65 CTSC (0.47)
SCHEMBL4894058 0.65 CTSC (0.40) SYKSRCZAP70KDRCYP1A1
SCHEMBL5257505 0.65 CDK4 (0.45)
SCHEMBL4899246 0.65 RAB9A (0.48) SYKSRCZAP70IGF1RCYP1A1
Hydrochloric Acid SCHEMBL5360646 0.65 BTK (0.38) SYKSRCZAP70JAK2LCK
Hydrochloric Acid SCHEMBL4892307 0.64 CDK4 (0.44)

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
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed