SCHEMBL4122024

SCHEMBL4122024

FC(F)(F)Oc1ccc(N(c2ccccc2)c2cc(N3CCOCC3)cc(Cl)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PIK3CA P42336 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKT1 P31749 1/20 0.40
MTOR P42345 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CETP P11597 1/20 0.39
PRKDC P78527 2/20 0.39
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL4291900 0.77 HSD17B10 (0.41) LMNAALDH1A1MAPTGAATSHR
SCHEMBL3997021 0.74 ABL1 (0.60) ALDH1A1PIK3CAAKT1MTORMAPT
SCHEMBL28195198 0.71 PRKDC (0.55) LMNAALDH1A1PIK3CAAKT1MTOR
SCHEMBL4122021 0.70 PRKDC (0.46) ALDH1A1PIK3CAAKT1MTORSCN9A
SCHEMBL17767824 0.68 LMNA (0.55) LMNAALDH1A1PIK3CANPSR1SCN9A
SCHEMBL16710496 0.67 SERPINE1 (0.47) ALDH1A1MAPTCETP
SCHEMBL3996473 0.67 MAPT (0.56) LMNAALDH1A1MAPTGAAPRKDC
SCHEMBL16710480 0.67 SERPINE1 (0.47) ALDH1A1MAPTCETP
SCHEMBL9091199 0.67 SERPINE1 (0.47) ALDH1A1MAPTCETP
SCHEMBL4004651 0.67 ABL1 (0.61) ALDH1A1AKT1MAPTGAAABL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP claimed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP claimed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed