SCHEMBL2729484

SCHEMBL2729484

[CH]c1cccc(-c2ccc3c(c2)c2ccnc(CC)c2n3C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HASPIN Q8TF76 1/20 0.36
LIMK1 P53667 2/20 0.32
MAOA P21397 1/20 0.31
DYRK1A Q13627 1/20 0.31
NR3C1 P04150 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL2729483 1.00 BCHE (0.38) BCHEACHEHASPINLIMK1MAOA
SCHEMBL2729487 0.87 BCHE (0.41) BCHEACHEHASPIN
SCHEMBL2719938 0.82 LIMK1 (0.52) LIMK1DYRK1A
SCHEMBL15312161 0.76 BCHE (0.44) BCHEACHEHASPINMAOADYRK1A
SCHEMBL2720296 0.75 ALKBH5 (0.49) BCHEACHEHASPINLIMK1MAOA
SCHEMBL2733460 0.74 HASPIN (0.44) BCHEACHEHASPINDYRK1A
SCHEMBL28928549 0.70 ACHE (0.60) BCHEACHEHASPINLIMK1MAOA
SCHEMBL21814269 0.63 BRD4 (0.40) BCHEACHELIMK1
SCHEMBL17030436 0.63 HSD17B10 (0.46) LIMK1
SCHEMBL18160217 0.63 ALKBH5 (0.65) LIMK1

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-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 EP disclosed
WO-2012059232-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A (CH) 2012-05-10 WO disclosed