SCHEMBL27891784

SCHEMBL27891784

Cc1nccc2c3ccccc3n(CCCc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.57
DYRK1A Q13627 4/20 0.50
KDR P35968 3/20 0.50
HASPIN Q8TF76 8/20 0.49
DYRK2 Q92630 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
SRC P12931 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46

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
SCHEMBL17502378 0.89 HASPIN (0.59) DYRK1AHASPINDYRK2
SCHEMBL17517490 0.89 HASPIN (0.55) DYRK1AHASPINDYRK2
SCHEMBL17502370 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL17502356 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL17502367 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL17502369 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL17502359 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL17502376 0.88 HASPIN (0.57) DYRK1AHASPINDYRK2
SCHEMBL20340614 0.86 DYRK1A (0.53) MCL1DYRK1AHASPINDYRK2
SCHEMBL27899833 0.86 DYRK1A (0.55) DYRK1AHASPINSRCPRKACAPRKACG

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
CN-102146080-B Beta-carboline alkali derivative compounds and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD 2013-01-30 CN claimed
CN-104755078-A Application of harmine derivatives in preparation of antimicrobial agents XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2015-07-01 CN disclosed
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 CN disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 CN disclosed