SCHEMBL16093786

SCHEMBL16093786

COc1cc(C(F)(F)F)c2c3ccncc3n(CCCCN)c2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 14/20 0.66
DYRK2 Q92630 4/20 0.53
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
DYRK1A Q13627 3/20 0.41
ROCK2 O75116 1/20 0.35

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
SCHEMBL16093779 0.85 HASPIN (0.71) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL16099097 0.84 HASPIN (0.45) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL2565027 0.84 HASPIN (0.49) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL16098852 0.82 HASPIN (0.45) HASPINDYRK2MAOAMAOBDYRK1A
SCHEMBL16098887 0.81 HASPIN (0.66) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL16094165 0.80 HASPIN (0.41) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL30939953 0.80 HASPIN (1.00) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL12286389 0.80 HASPIN (1.00) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL16099839 0.78 HASPIN (0.39) HASPINDYRK2TP53CYP1A2CYP3A4
SCHEMBL16099605 0.77 EPHX2 (0.41) HASPINALOX15DYRK1A

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