SCHEMBL27708248

SCHEMBL27708248

OCC1(c2c[nH]c3ncccc23)C=CC(OCc2cccc(C(F)(F)F)c2)=NC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HTR6 P50406 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL1267975 0.66 CSF1R (0.58) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1267188 0.66 MRGPRX4 (0.49) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1267798 0.65 MAOB (0.45) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL27708268 0.64 CDC7 (0.49) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL20671734 0.59 AXL (0.46) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL8940229 0.59 CDC7 (1.00) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL11071004 0.59 LTA4H (0.61) MAPTALDH1A1GAAL3MBTL1MAOB
SCHEMBL4551627 0.58 MEN1 (0.62) MAPTALDH1A1GAAL3MBTL1MAOB
SCHEMBL8881801 0.58 NR4A2 (0.58) ALDH1A1GAAL3MBTL1MAOBNR4A2
SCHEMBL5585277 0.58 ADRB1 (0.54) HTR6MAPTALDH1A1MAOBTACR1

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
CN-101223169-A Pyrrolo [2, 3-b ] pyridine derivative protein kinase inhibitors PLEXXIKON INC (US) 2008-07-16 — — CN disclosed
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