SCHEMBL19860030

SCHEMBL19860030

Cc1c(F)cc(F)cc1-c1c[nH]c2ncc(-n3cc(N4CCN(CCO)CC4)cn3)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.44
TNIK Q9UKE5 1/20 0.37
MAP3K9 P80192 1/20 0.37
MAP3K11 Q16584 1/20 0.37
CLK1 P49759 3/20 0.36
DYRK1A Q13627 3/20 0.36
ALK Q9UM73 6/20 0.35
SIK1 P57059 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
PDPK1 O15530 1/20 0.34
STAT6 P42226 1/20 0.33
MAPK1 P28482 1/20 0.33
METAP2 P50579 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15805267 0.89 MAP4K1 (0.48) MAP4K1TNIKMAP3K9MAP3K11CLK1
SCHEMBL19860029 0.84 SIK1 (0.35) MAP4K1CLK1DYRK1AALKSIK1
SCHEMBL15805272 0.76 MAP4K1 (0.49) MAP4K1TNIKMAP3K9MAP3K11MAPK1
SCHEMBL15805271 0.73 SIK1 (0.47) MAP4K1MAP3K11ALKSIK1SIK3
SCHEMBL17636825 0.70 SIK1 (0.50) MAP4K1MAP3K11SIK1SIK3MAPK1
SCHEMBL15799169 0.65 SIK1 (0.75) MAP4K1TNIKMAP3K11ALKSIK1
SCHEMBL19860027 0.65 SIK1 (0.65) TNIKALKSIK1SIK3PDPK1
SCHEMBL21676921 0.65 MAPK1 (0.39) MAP4K1TNIKMAP3K11MAPK1
SCHEMBL15556786 0.64 ALK (0.68) MAP4K1TNIKMAP3K9MAP3K11ALK
SCHEMBL19860025 0.63 SIK1 (0.46) MAP4K1TNIKMAP3K11ALKSIK1

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
US-9890153-B2 Substituted 1H-pyrrolo [2, 3-b] pyridine and 1H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-02-13 US disclosed