SCHEMBL13036629

SCHEMBL13036629

Cn1cc(CC#N)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
ELANE P08246 6/20 0.40
CCNT1 O60563 1/20 0.40
PIM1 P11309 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GSK3B P49841 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PTGS2 P35354 1/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL9262747 0.82 DYRK1A (0.46) DYRK1AELANEGSK3BAPPSNCA
SCHEMBL13044512 0.80 DYRK1A (0.47) DYRK1AELANECCNT1PIM1CCNA2
SCHEMBL13168783 0.80 CCNT1 (0.47) DYRK1AELANECCNT1PIM1CCNA2
SCHEMBL1092197 0.79 DYRK1A (0.43) DYRK1AELANECCNT1PIM1CCNA2
SCHEMBL4569765 0.79 DYRK1A (0.46) DYRK1AELANECCNT1PIM1CCNA2
SCHEMBL4717733 0.79 HTR6 (0.44) ELANECDK2CDK1CCNB1CCNB2
SCHEMBL17500280 0.77 ELANE (0.36) ELANEAPPSNCA
SCHEMBL19169097 0.77 HTR6 (0.38) ELANECDK2APPSNCAHTR6
SCHEMBL14678667 0.76 DYRK1A (0.43) DYRK1ACCNT1PIM1CCNA2CDK2
SCHEMBL967806 0.76 HTR2A (0.57) DYRK1ACCNT1PIM1CCNA2CDK2

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-2445497-B1 Use of derivatives of indoles for the treatment of cancer CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-08-02 EP disclosed
WO-2010150211-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-29 WO disclosed