SCHEMBL8717405

SCHEMBL8717405

c1cnc2c(c1)-c1n[nH]c3cccc(c13)S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
MAPK10 P53779 3/20 0.44
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
LCK P06239 3/20 0.44
CSF1R P07333 3/20 0.44
FGFR1 P11362 3/20 0.44
ROCK1 Q13464 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KIT P10721 2/20 0.44
FLT3 P36888 2/20 0.44
LMNA P02545 2/20 0.44
PLK4 O00444 2/20 0.44
AURKA O14965 2/20 0.44
DAPK3 O43293 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
NTRK1 P04629 2/20 0.44
CDK1 P06493 2/20 0.44

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
SCHEMBL8717177 0.80 LRRK2 (0.38) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL7544982 0.80 KDR (0.54) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL20256432 0.78 ALDH1A1 (0.43) MAPK10ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL8720058 0.73 PIM1 (0.41) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL9201258 0.70 MEN1 (0.67) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL8796647 0.67 MEN1 (0.67) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL20256146 0.66 ALDH1A1 (0.36) MAPK10ALDH1A1HSD17B10LMNACYP1A2
SCHEMBL21385107 0.64 TYMS (0.39) MAPK10ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL7541304 0.62 KDM4E (0.41) KDRMAPK10MAPK8MAPK9LCK
SCHEMBL6750942 0.62 MAPK10 (0.41) KDRMAPK10MAPK8MAPK9LCK

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-0837861-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1998-04-29 EP disclosed
WO-1997002267-A1 NEW PYRIDO-THIOPYRANOINDAZOLES WITH ANTITUMOR ACTIVITY UNIVERSITY OF VERMONT (US) 1997-01-23 WO disclosed