SCHEMBL27708268

SCHEMBL27708268

O=C(c1ccc(OCc2cccc(C(F)(F)F)c2)nc1-c1c[nH]c2ncccc12)c1ccc(OCc2cccc(C(F)(F)F)c2)nc1-c1c[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ HIPK2 Q9H2X6 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49
▸ CLK1 P49759 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ PDPK1 O15530 2/20 0.46
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ NR4A2 P43354 2/20 0.39
▸ MAOB P27338 5/20 0.39

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
SCHEMBL1267188 0.80 MRGPRX4 (0.49) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1267975 0.73 CSF1R (0.58) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL1267798 0.72 MAOB (0.45) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL22043993 0.69 ROCK2 (0.54) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL3386630 0.67 CDC7 (0.52) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL8940229 0.66 CDC7 (1.00) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL3608840 0.66 MAP4K4 (0.59) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL12252093 0.66 MAP2K1 (0.46) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL414181 0.65 BRAF (0.56) MAPTHTTPPIA
SCHEMBL27708248 0.64 CDC7 (0.42) CDC7ROCK2MAP4K4PIM1PRKACA

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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