SCHEMBL21677035

SCHEMBL21677035

Cc1cccc(-c2c[nH]c3ncc(Nc4ccc(N5CCN(C)CC5)c(F)c4)cc23)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.47
▸ JAK2 O60674 5/20 0.46
▸ CLK1 P49759 3/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ SIK1 P57059 2/20 0.43
▸ SIK2 Q9H0K1 2/20 0.43
▸ SIK3 Q9Y2K2 2/20 0.43
▸ BRD4 O60885 5/20 0.42
▸ JAK1 P23458 3/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ BRDT Q58F21 2/20 0.42
▸ BTK Q06187 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 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
SCHEMBL15805375 0.93 JAK2 (0.45) AXLJAK2CLK1DYRK1ASIK1
SCHEMBL15805447 0.84 JAK2 (0.49) AXLJAK2CLK1DYRK1AJAK1
SCHEMBL21677036 0.79 CLK1 (0.45) AXLJAK2CLK1DYRK1ABRD4
SCHEMBL15805363 0.79 AXL (0.47) AXLJAK2CLK1DYRK1ASIK1
SCHEMBL12965679 0.75 AXL (0.52) AXLJAK2SIK1SIK2SIK3
SCHEMBL17640327 0.72 JAK2 (0.49) AXLJAK2SIK1SIK2SIK3
SCHEMBL18921933 0.70 AXL (0.52) AXLJAK2BRD4JAK1JAK3
SCHEMBL15805392 0.69 CLK1 (0.46) JAK2CLK1DYRK1AJAK3BTK
SCHEMBL4484592 0.67 SIK1 (0.66) AXLJAK2SIK1SIK2SIK3
SCHEMBL17640273 0.67 AXL (0.48) AXLJAK2JAK3BTKFLT3

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
EP-2931722-B1 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) 2020-02-05 — — EP disclosed
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