SCHEMBL16093779

SCHEMBL16093779

COc1cc(C)c2c3ccncc3n(CCCCN)c2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 13/20 0.71
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
STAT6 P42226 1/20 0.51
HIF1A Q16665 1/20 0.51
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
DYRK2 Q92630 4/20 0.47
DYRK1A Q13627 4/20 0.46
BRD4 O60885 1/20 0.38

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
SCHEMBL16098887 0.97 HASPIN (0.66) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16093786 0.85 HASPIN (0.66) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16099174 0.84 HASPIN (0.55) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL30939953 0.83 HASPIN (1.00) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL12286389 0.83 HASPIN (1.00) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16099514 0.83 DYRK1A (0.49) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16099021 0.81 HASPIN (0.47) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16099752 0.81 HASPIN (0.47) HASPINTP53CYP1A2CYP3A4CYP2D6
SCHEMBL16099754 0.79 HASPIN (0.45) HASPINTP53CYP1A2CYP3A4MAOA
SCHEMBL16093913 0.77 HASPIN (0.55) HASPINTP53CYP1A2CYP3A4CYP2D6

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-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 EP disclosed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 WO disclosed