SCHEMBL380700

SCHEMBL380700

NC(c1ccccn1)c1nccc2scc(-c3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.44
AURKB Q96GD4 3/20 0.44
AURKA O14965 2/20 0.44
MAP4K4 O95819 3/20 0.38
LCK P06239 3/20 0.38
CSF1R P07333 3/20 0.38
FGFR1 P11362 3/20 0.38
FLT1 P17948 3/20 0.38
CSNK1A1 P48729 3/20 0.38
MAP4K2 Q12851 3/20 0.38
ROCK1 Q13464 3/20 0.38
NTRK2 Q16620 3/20 0.38
TAOK1 Q7L7X3 3/20 0.38
RET P07949 2/20 0.38
CLK2 P49760 2/20 0.38
RPS6KA3 P51812 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
ABL1 P00519 1/20 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
SCHEMBL379502 0.83 SLC6A2 (0.33) KDRAURKBAURKA
SCHEMBL380010 0.81 KDR (0.43) KDRAURKBAURKAMAP4K4LCK
SCHEMBL2369059 0.81 FGFR1 (0.56) KDRAURKBAURKAMAP4K4LCK
SCHEMBL2900100 0.77 FGFR1 (0.47) KDRAURKBAURKAMAP4K4LCK
SCHEMBL3387889 0.76 LMNA (0.50) KDRMAP4K4LCKCSF1RFGFR1
SCHEMBL3381246 0.74 LMNA (0.43) KDRMAP4K4LCKCSF1RFGFR1
SCHEMBL2368941 0.74 LMNA (0.43) KDRMAP4K4LCKCSF1RFGFR1
SCHEMBL2368911 0.73 LMNA (0.45) KDRMAP4K4LCKCSF1RFGFR1
SCHEMBL3383431 0.73 ALDH1A1 (0.44) KDRMAP4K4LCKCSF1RFGFR1
SCHEMBL3387596 0.73 LMNA (0.42) KDRAURKBAURKAMAP4K4LCK

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
EP-1968982-B1 THIENO (3,2-C) PYRIDINE COMPOUNDS XENTION LTD (GB) 2012-01-25 EP claimed