SCHEMBL3387032

SCHEMBL3387032

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2cccc(C)n2)c2c(-c3ccc4c(c3)OCO4)c(C)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HIF1A Q16665 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
TGFBR1 P36897 4/20 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
SCHEMBL3387551 0.91 DYRK1A (0.40) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3387021 0.89 JAK2 (0.36) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3386501 0.88 PRKCI (0.36) MAPTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL3383464 0.88 CLK4 (0.37) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3384949 0.87 BCL2 (0.33) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL2368813 0.82 CYP1A2 (0.38) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3387823 0.80 KDM4E (0.40) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3387544 0.80 DYRK1A (0.46) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3415634 0.79 KDM4E (0.39) MAPK1MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3384583 0.78 CLK4 (0.41) MAPK1CYP1A2CYP3A4CYP2D6CYP2C19

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-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed