SCHEMBL16103391

SCHEMBL16103391

COc1ccc2c3ccnc(C(F)(F)F)c3n(CCn3ccnn3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 7/20 0.70
▸ DYRK2 Q92630 1/20 0.70
▸ DYRK1A Q13627 14/20 0.52
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48

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
SCHEMBL16123628 0.83 HASPIN (0.66) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL30940008 0.83 HASPIN (0.66) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL12287315 0.82 HASPIN (1.00) HASPINDYRK2DYRK1A
SCHEMBL30939968 0.82 HASPIN (0.70) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16102319 0.82 HASPIN (0.70) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123609 0.81 DYRK1A (0.72) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL30939975 0.81 DYRK1A (0.72) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123615 0.80 HASPIN (0.67) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL16123595 0.80 HASPIN (0.73) HASPINDYRK2DYRK1AHTR2AHTR2C
SCHEMBL30940011 0.80 HASPIN (0.67) HASPINDYRK2DYRK1AHTR2AHTR2C

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
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