SCHEMBL2725962

SCHEMBL2725962

COc1ccc2[nH]cc(/C(C#N)=C(C(=C(\C#N)c3c[nH]c4ccccc34)\c3cncnc3)/c3cncnc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 5/20 0.56
DYRK1A Q13627 4/20 0.56
CLK1 P49759 3/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NR4A2 P43354 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
CPT1A P50416 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2726433 0.90 KIF20A (0.59) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2725902 0.89 KIF20A (0.58) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2727891 0.84 MEN1 (0.48) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL3434269 0.81 DYRK1A (0.60) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2724741 0.80 GABRP (0.48) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2727478 0.80 KIF20A (0.44) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL15907803 0.79 DYRK1A (0.67) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2728481 0.79 DYRK1A (0.67) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2728478 0.79 DYRK1A (0.67) KIF20ADYRK1ACLK1MEN1KMT2A
SCHEMBL2725494 0.79 DYRK1A (0.67) KIF20ADYRK1ACLK1MEN1KMT2A

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 6 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
EP-2445497-A2 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2012-05-02 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