SCHEMBL17595371

SCHEMBL17595371

O=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4nc5cccc(-c6ccccc6F)c5[nH]4)n[nH]c3cn2)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.73
CLK3 P49761 3/20 0.73
DYRK1A Q13627 3/20 0.73
WNT1 P04628 16/20 0.64
TGFBR1 P36897 8/20 0.62
PIM1 P11309 1/20 0.57

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
SCHEMBL17595685 0.93 CLK2 (0.76) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17596350 0.92 CLK2 (0.85) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17566617 0.91 WNT1 (0.75) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17575562 0.90 WNT1 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17592525 0.89 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17568269 0.88 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17566741 0.88 WNT1 (0.74) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL18443599 0.87 CLK2 (0.69) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17595846 0.87 WNT1 (0.77) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL17592447 0.86 CLK2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016040180-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed