SCHEMBL3860722

SCHEMBL3860722

CC(C)c1ccc2c(c1C(C)C)Nc1ccccc1N2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ACVR1 Q04771 2/20 0.32
LRRK2 Q5S007 2/20 0.32
ROS1 P08922 1/20 0.32
CDK5 Q00535 1/20 0.32
PDGFRA P16234 1/20 0.31
FER P16591 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CSNK1G1 Q9HCP0 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
IGF1R P08069 1/20 0.30
PDGFRB P09619 1/20 0.30
NOX4 Q9NPH5 1/20 0.30

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
SCHEMBL31013336 0.71 GABRA1 (0.46) GABRA1GABRB2GAAMAPT
SCHEMBL21650259 0.70 LMNA (0.34) GABRA1GABRB2
SCHEMBL16746136 0.69 XIAP (0.36)
SCHEMBL16746087 0.69 XIAP (0.33)
SCHEMBL16746085 0.68 ADRA2A (0.33)
SCHEMBL1292825 0.67 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL2023542 0.64 ACVR1 (0.39) ACVR1LRRK2ROS1CDK5PDGFRA
SCHEMBL624418 0.64 GAA (0.59) ACVR1LRRK2ROS1CDK5PDGFRA
SCHEMBL29369547 0.64 GAA (0.59) ACVR1LRRK2ROS1CDK5PDGFRA
SCHEMBL2676730 0.64 GAA (0.59) ACVR1LRRK2ROS1CDK5PDGFRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812822-A4 ELECTROCHROMIC COMPOUNDS AND ASSOCIATED MEDIA AND DEVICES GENTEX CORP (US) 2009-04-15 EP disclosed
CN-101069124-A Electrochromic compounds and related media and devices GENTEX CORP (US) 2007-11-07 CN disclosed
EP-1812822-A2 ELECTROCHROMIC COMPOUNDS AND ASSOCIATED MEDIA AND DEVICES Gentex Corporation (US) 2007-08-01 EP disclosed
WO-2006055391-A2 ELECTROCHROMIC COMPOUNDS AND ASSOCIATED MEDIA AND DEVICES GENTEX CORPORATION (US) 2006-05-26 WO disclosed