SCHEMBL2726532

SCHEMBL2726532

N#C/C(=C(C(=C(\C#N)c1c[nH]c2ccccc12)/c1cccnc1)\c1cccnc1)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 11/20 0.54
DYRK1A Q13627 6/20 0.54
CLK1 P49759 4/20 0.47
PIP4K2A P48426 1/20 0.44
SPR P35270 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CHEK1 O14757 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
SCHEMBL2726861 1.00 KIF20A (0.54) KIF20ADYRK1ACLK1PIP4K2ASPR
SCHEMBL2726865 0.84 KIF20A (0.68) KIF20ADYRK1ACLK1
SCHEMBL3434452 0.82 DYRK1A (0.56) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2726433 0.81 KIF20A (0.59) KIF20ADYRK1ACLK1PIP4K2AMEN1
SCHEMBL2726951 0.80 DYRK1A (0.50) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2725919 0.78 DYRK1A (0.59) KIF20ADYRK1ACLK1
SCHEMBL2725962 0.76 KIF20A (0.56) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2711278 0.76 DYRK1A (0.78) KIF20ADYRK1ACLK1PIP4K2AMEN1
SCHEMBL2711280 0.76 DYRK1A (0.78) KIF20ADYRK1ACLK1PIP4K2AMEN1
SCHEMBL30937474 0.76 DYRK1A (0.78) KIF20ADYRK1ACLK1PIP4K2AMEN1

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
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 claimed
EP-2445497-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2012-05-02 EP claimed
WO-2010150211-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-29 WO claimed
EP-2266562-A1 Use of derivatives of indoles for the treatment of cancer Centre National de la Recherche Scientifique (FR) 2010-12-29 EP claimed