SCHEMBL8720058

SCHEMBL8720058

c1cc2c3c(n[nH]c3c1)-c1ccncc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.41
CLK2 P49760 3/20 0.41
DYRK1A Q13627 3/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
IKBKB O14920 2/20 0.41
AURKA O14965 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
PDPK1 O15530 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
MEN1 O00255 1/20 0.41
CDC7 O00311 1/20 0.41

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
SCHEMBL7544982 0.83 KDR (0.54) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL8717177 0.74 LRRK2 (0.38) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL8720060 0.73 GAA (0.40) DYRK1AMAPTPDPK1IDO1GAA
SCHEMBL8717405 0.73 KDR (0.44) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL7817760 0.71 PIM1 (0.72) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL7810309 0.71 TTK (0.72) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL8716395 0.65 TOP2A (0.35) MAPTCYP1A2CYP3A4CYP2D6IDO1
SCHEMBL8717236 0.65 GAA (0.36) MAPTPDPK1IDO1GAAL3MBTL1
SCHEMBL6750942 0.62 MAPK10 (0.41) PIM1CLK2DYRK1AMAPK8MAPK9
SCHEMBL7541304 0.62 KDM4E (0.41) PIM1CLK2DYRK1AMAPK8MAPK9

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