SCHEMBL17656552

SCHEMBL17656552

CCC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(C)c6)ccnc5[nH]4)c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 9/20 0.47
CLK3 P49761 9/20 0.47
DYRK1A Q13627 9/20 0.47
WNT1 P04628 9/20 0.45
TGFBR1 P36897 1/20 0.45
WNT3A P56704 1/20 0.44
MAPK14 Q16539 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL12397469 0.92 CLK2 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396623 0.92 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12397361 0.91 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL19499523 0.90 WNT1 (0.54) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12395407 0.89 WNT1 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL20041563 0.89 CLK2 (0.59) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396628 0.88 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL15617343 0.87 CLK2 (0.61) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12395405 0.87 WNT1 (0.56) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396633 0.86 WNT1 (0.46) CLK2CLK3DYRK1AWNT1TGFBR1

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-3001903-B1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED LLC (US) 2017-10-25 EP disclosed
EP-3001903-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2016-04-06 EP disclosed