SCHEMBL6993440

SCHEMBL6993440

CNc1nc2ccccc2nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GPR3 P46089 1/20 0.45
NCF1 P14598 1/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL12503018 0.80 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL103601 0.77 MAPT (0.62) MAPTKDM4EALDH1A1CYP1A2GPR3
SCHEMBL29364974 0.77 MAPT (0.62) MAPTKDM4EALDH1A1CYP1A2GPR3
SCHEMBL26534307 0.77 MAPT (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15256359 0.77 MAPT (0.70) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL14067142 0.76 TDP1 (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5722728 0.75 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10894141 0.75 KDM4E (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12363914 0.75 ALDH1A1 (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11011451 0.75 MAPT (0.59) MAPTKDM4EALDH1A1CYP1A2GPR3

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
WO-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed